[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;methane

C62H55Cl5N12O3 — CID 158918564

IUPAC[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;methane
SMILESC.C.O=C(c1ccc(NCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12.O=c1[nH]c(NCc2ccc(Cl)cc2)ccc1Cc1c[nH]c2ncccc12.OC(c1ccc(NCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12
InChIInChI=1S/C20H16Cl2N4O.C20H14Cl2N4O.C20H17ClN4O.2CH4/c2*21-13-5-3-12(4-6-13)10-24-17-8-7-15(19(22)26-17)18(27)16-11-25-20-14(16)2-1-9-23-20;21-16-6-3-13(4-7-16)11-23-18-8-5-14(20(26)25-18)10-15-12-24-19-17(15)2-1-9-22-19;;/h1-9,11,18,27H,10H2,(H,23,25)(H,24,26);1-9,11H,10H2,(H,23,25)(H,24,26);1-9,12H,10-11H2,(H,22,24)(H2,23,25,26);2*1H4
InChIKeyJHNUJFBDMDOOLA-UHFFFAOYSA-N
MW1193.47 g/mol
LogP15.45
Rot. Bonds15

About [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;methane

[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;methane (PubChem CID 158918564) has the molecular formula C62H55Cl5N12O3 and a molecular weight of 1193.47 g/mol. Its IUPAC name is [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;methane.

Molecular Properties

Compound Name[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;methane
PubChem CID158918564
Molecular FormulaC62H55Cl5N12O3
Molecular Weight1193.47 g/mol
Exact Mass1190.30
IUPAC Name[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;methane
SMILESC.C.O=C(c1ccc(NCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12.O=c1[nH]c(NCc2ccc(Cl)cc2)ccc1Cc1c[nH]c2ncccc12.OC(c1ccc(NCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12
InChIInChI=1S/C20H16Cl2N4O.C20H14Cl2N4O.C20H17ClN4O.2CH4/c2*21-13-5-3-12(4-6-13)10-24-17-8-7-15(19(22)26-17)18(27)16-11-25-20-14(16)2-1-9-23-20;21-16-6-3-13(4-7-16)11-23-18-8-5-14(20(26)25-18)10-15-12-24-19-17(15)2-1-9-22-19;;/h1-9,11,18,27H,10H2,(H,23,25)(H,24,26);1-9,11H,10H2,(H,23,25)(H,24,26);1-9,12H,10-11H2,(H,22,24)(H2,23,25,26);2*1H4
InChIKeyJHNUJFBDMDOOLA-UHFFFAOYSA-N
XLogP15.45
TPSA218.07 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001193.47
LogP ≤ 515.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;methane;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanone;3-[[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine
CID 158927257
(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanone
CID 160379471
(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanone;3-[[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine
CID 160766513
(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanone;[4-(trifluoromethyl)phenyl]methanamine
CID 161257254
[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanol;[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone
CID 123479910
[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(4-chlorophenyl)methanol;2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid;(2,6-dichloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine
CID 157205068
2-chlorobenzoyl chloride;(2-chlorophenyl)-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;(2-chlorophenyl)-[4-[(4-hydroxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;iodide
CID 157224054
5-bromo-N-[(2-chlorophenyl)methyl]-6-fluoropyridin-2-amine;[6-[(2-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;N-[(2-chlorophenyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane)
CID 157339631
6-chloropyridine-3-carbonyl chloride;(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[6-(2-methylpropylamino)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-(2-methylpropyl)-5-[N-(2-methylpropyl)-C-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbonimidoyl]pyridin-2-amine;N-(2-methylpropyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
CID 157567737
2-chlorobenzoyl chloride;(2-chlorophenyl)-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;(2-chlorophenyl)-[4-[(4-hydroxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methane;iodide
CID 157628447
tert-butyl N-[(4-chlorophenyl)methyl]-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methoxy-2-pyridinyl]carbamate;N-[(4-chlorophenyl)methyl]-6-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine
CID 157679986
5-bromo-N-[(4-chlorophenyl)methyl]pyridin-2-amine;5-bromopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl N-[5-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-pyridinyl]-N-[(4-chlorophenyl)methyl]carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;4-chlorobenzaldehyde;6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;methane
CID 157718826

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;methane?
The IUPAC name of [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;methane (CID 158918564) is [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;methane.
What is the SMILES notation for [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;methane?
The canonical SMILES for [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;methane is C.C.O=C(c1ccc(NCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12.O=c1[nH]c(NCc2ccc(Cl)cc2)ccc1Cc1c[nH]c2ncccc12.OC(c1ccc(NCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12.
What is the InChIKey of [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;methane?
The InChIKey is JHNUJFBDMDOOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O.C20H14Cl2N4O.C20H17ClN4O.2CH4/c2*21-13-5-3-12(4-6-13)10-24-17-8-7-15(19(22)26-17)18(27)16-11-25-20-14(16)2-1-9-23-20;21-16-6-3-13(4-7-16)11-23-18-8-5-14(20(26)25-18)10-15-12-24-19-17(15)2-1-9-22-19;;/h1-9,11,18,27H,10H2,(H,23,25)(H,24,26);1-9,11H,10H2,(H,23,25)(H,24,26);1-9,12H,10-11H2,(H,22,24)(H2,23,25,26);2*1H4.
What are the key properties of [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;methane?
[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;methane has a molecular weight of 1193.47 g/mol, XLogP of 15.45, 15 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one;methane is sourced from PubChem (CID 158918564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).