6-azatricyclo[3.2.1.03,8]oct-3(8)-en-6-yl-[2-[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone

C26H23ClN6O — CID 156829268

IUPAC6-azatricyclo[3.2.1.03,8]oct-3(8)-en-6-yl-[2-[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(Cl)nc3n2CC2CC2)nn2cc(C(=O)N3CC4CC5=C4C3C5)cnc12
InChIInChI=1S/C26H23ClN6O/c1-13-23(20-7-15-4-5-21(27)29-25(15)31(20)10-14-2-3-14)30-33-12-18(9-28-24(13)33)26(34)32-11-17-6-16-8-19(32)22(16)17/h4-5,7,9,12,14,17,19H,2-3,6,8,10-11H2,1H3
InChIKeyDHOLURHWISKSAH-UHFFFAOYSA-N
MW470.96 g/mol
LogP4.66
Rot. Bonds4

About 6-azatricyclo[3.2.1.03,8]oct-3(8)-en-6-yl-[2-[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone

6-azatricyclo[3.2.1.03,8]oct-3(8)-en-6-yl-[2-[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone (PubChem CID 156829268) has the molecular formula C26H23ClN6O and a molecular weight of 470.96 g/mol. Its IUPAC name is 6-azatricyclo[3.2.1.03,8]oct-3(8)-en-6-yl-[2-[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name6-azatricyclo[3.2.1.03,8]oct-3(8)-en-6-yl-[2-[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
PubChem CID156829268
Molecular FormulaC26H23ClN6O
Molecular Weight470.96 g/mol
Exact Mass470.16
IUPAC Name6-azatricyclo[3.2.1.03,8]oct-3(8)-en-6-yl-[2-[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(Cl)nc3n2CC2CC2)nn2cc(C(=O)N3CC4CC5=C4C3C5)cnc12
InChIInChI=1S/C26H23ClN6O/c1-13-23(20-7-15-4-5-21(27)29-25(15)31(20)10-14-2-3-14)30-33-12-18(9-28-24(13)33)26(34)32-11-17-6-16-8-19(32)22(16)17/h4-5,7,9,12,14,17,19H,2-3,6,8,10-11H2,1H3
InChIKeyDHOLURHWISKSAH-UHFFFAOYSA-N
XLogP4.66
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.96
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-azatricyclo[3.2.1.03,8]oct-3(8)-en-6-yl-[2-[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone with MolForge

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Related Compounds

3-O-tert-butyl 6-O-ethyl 2-[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrazolo[1,5-a]pyridine-3,6-dicarboxylate
CID 156828761
[(3R,5R)-2-tert-butyl-1-[2-[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl] carbamate
CID 175796020
[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[6-cyclopropyl-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
CID 156829130
tert-butyl-[(3R,5R)-1-[2-[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamic acid
CID 166709619
[(8R)-6-azatricyclo[3.2.1.03,8]octan-6-yl]-[2-[1-(cyclopropylmethyl)-6-methylpyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
CID 156828775
[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[(3R)-3-hydroxypiperidin-1-yl]pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
CID 156829592
[(3R,5R)-1-[2-[6-acetyl-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-tert-butyl-5-fluoropiperidin-3-yl] carbamate
CID 175796059
[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-trimethylstannane
CID 156829346
[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
CID 156829679
1-[4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one
CID 156829720
methyl N-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]piperidin-4-yl]-N-methylcarbamate
CID 156829830
tert-butyl N-[1-[2-[7-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate
CID 175355199

Frequently Asked Questions

What is the IUPAC name of 6-azatricyclo[3.2.1.03,8]oct-3(8)-en-6-yl-[2-[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The IUPAC name of 6-azatricyclo[3.2.1.03,8]oct-3(8)-en-6-yl-[2-[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone (CID 156829268) is 6-azatricyclo[3.2.1.03,8]oct-3(8)-en-6-yl-[2-[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone.
What is the SMILES notation for 6-azatricyclo[3.2.1.03,8]oct-3(8)-en-6-yl-[2-[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The canonical SMILES for 6-azatricyclo[3.2.1.03,8]oct-3(8)-en-6-yl-[2-[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone is Cc1c(-c2cc3ccc(Cl)nc3n2CC2CC2)nn2cc(C(=O)N3CC4CC5=C4C3C5)cnc12.
What is the InChIKey of 6-azatricyclo[3.2.1.03,8]oct-3(8)-en-6-yl-[2-[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The InChIKey is DHOLURHWISKSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O/c1-13-23(20-7-15-4-5-21(27)29-25(15)31(20)10-14-2-3-14)30-33-12-18(9-28-24(13)33)26(34)32-11-17-6-16-8-19(32)22(16)17/h4-5,7,9,12,14,17,19H,2-3,6,8,10-11H2,1H3.
What are the key properties of 6-azatricyclo[3.2.1.03,8]oct-3(8)-en-6-yl-[2-[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone?
6-azatricyclo[3.2.1.03,8]oct-3(8)-en-6-yl-[2-[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone has a molecular weight of 470.96 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azatricyclo[3.2.1.03,8]oct-3(8)-en-6-yl-[2-[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone is sourced from PubChem (CID 156829268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).