N-(6-chloro-3-pyridinyl)-6-fluoro-5-[(4-methoxy-2,7-dihydro-1H-pyrrolo[2,3-d]triazin-5-yl)methyl]pyridin-2-amine

C17H15ClFN7O — CID 137232721

IUPACN-(6-chloro-3-pyridinyl)-6-fluoro-5-[(4-methoxy-2,7-dihydro-1H-pyrrolo[2,3-d]triazin-5-yl)methyl]pyridin-2-amine
SMILESCOC1=NNNc2[nH]cc(Cc3ccc(Nc4ccc(Cl)nc4)nc3F)c21
InChIInChI=1S/C17H15ClFN7O/c1-27-17-14-10(7-21-16(14)24-26-25-17)6-9-2-5-13(23-15(9)19)22-11-3-4-12(18)20-8-11/h2-5,7-8,21,24,26H,6H2,1H3,(H,22,23)
InChIKeyKQCKUVXQSCHSHC-UHFFFAOYSA-N
MW387.81 g/mol
LogP3.17
Rot. Bonds4

About N-(6-chloro-3-pyridinyl)-6-fluoro-5-[(4-methoxy-2,7-dihydro-1H-pyrrolo[2,3-d]triazin-5-yl)methyl]pyridin-2-amine

N-(6-chloro-3-pyridinyl)-6-fluoro-5-[(4-methoxy-2,7-dihydro-1H-pyrrolo[2,3-d]triazin-5-yl)methyl]pyridin-2-amine (PubChem CID 137232721) has the molecular formula C17H15ClFN7O and a molecular weight of 387.81 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-6-fluoro-5-[(4-methoxy-2,7-dihydro-1H-pyrrolo[2,3-d]triazin-5-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-6-fluoro-5-[(4-methoxy-2,7-dihydro-1H-pyrrolo[2,3-d]triazin-5-yl)methyl]pyridin-2-amine
PubChem CID137232721
Molecular FormulaC17H15ClFN7O
Molecular Weight387.81 g/mol
Exact Mass387.10
IUPAC NameN-(6-chloro-3-pyridinyl)-6-fluoro-5-[(4-methoxy-2,7-dihydro-1H-pyrrolo[2,3-d]triazin-5-yl)methyl]pyridin-2-amine
SMILESCOC1=NNNc2[nH]cc(Cc3ccc(Nc4ccc(Cl)nc4)nc3F)c21
InChIInChI=1S/C17H15ClFN7O/c1-27-17-14-10(7-21-16(14)24-26-25-17)6-9-2-5-13(23-15(9)19)22-11-3-4-12(18)20-8-11/h2-5,7-8,21,24,26H,6H2,1H3,(H,22,23)
InChIKeyKQCKUVXQSCHSHC-UHFFFAOYSA-N
XLogP3.17
TPSA99.25 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.81
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(6-chloro-3-pyridinyl)-6-fluoro-5-[(4-methoxy-2,7-dihydro-1H-pyrrolo[2,3-d]triazin-5-yl)methyl]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-fluoro-5-[(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine
CID 54588867
N-[(6-chloro-3-pyridinyl)methyl]-6-fluoro-5-[(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]pyridin-2-amine
CID 87307217
6-fluoro-N-(6-methoxy-3-pyridinyl)-5-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
CID 123809769
5-chloro-3-[[2-fluoro-6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442210
N-[(3-chloro-4-pyridinyl)methyl]-6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 67200183
3-[(6-chloro-2-methoxy-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 59593338
8-fluoro-N-(6-methoxy-3-pyridinyl)quinolin-2-amine
CID 139422667
2-fluoro-6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbaldehyde;3-[[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
CID 158212219
2-[(6-chloro-3-pyridinyl)amino]ethanol
CID 118956304
6-chloro-N-(4-fluorophenyl)pyridin-2-amine;2,6-dichloropyridine
CID 160664212
[(6-chloro-3-pyridinyl)amino]methanethiol
CID 88611899
6-fluoro-N-[(2-methyl-4-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 52936254

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-6-fluoro-5-[(4-methoxy-2,7-dihydro-1H-pyrrolo[2,3-d]triazin-5-yl)methyl]pyridin-2-amine?
The IUPAC name of N-(6-chloro-3-pyridinyl)-6-fluoro-5-[(4-methoxy-2,7-dihydro-1H-pyrrolo[2,3-d]triazin-5-yl)methyl]pyridin-2-amine (CID 137232721) is N-(6-chloro-3-pyridinyl)-6-fluoro-5-[(4-methoxy-2,7-dihydro-1H-pyrrolo[2,3-d]triazin-5-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-6-fluoro-5-[(4-methoxy-2,7-dihydro-1H-pyrrolo[2,3-d]triazin-5-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-6-fluoro-5-[(4-methoxy-2,7-dihydro-1H-pyrrolo[2,3-d]triazin-5-yl)methyl]pyridin-2-amine is COC1=NNNc2[nH]cc(Cc3ccc(Nc4ccc(Cl)nc4)nc3F)c21.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-6-fluoro-5-[(4-methoxy-2,7-dihydro-1H-pyrrolo[2,3-d]triazin-5-yl)methyl]pyridin-2-amine?
The InChIKey is KQCKUVXQSCHSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN7O/c1-27-17-14-10(7-21-16(14)24-26-25-17)6-9-2-5-13(23-15(9)19)22-11-3-4-12(18)20-8-11/h2-5,7-8,21,24,26H,6H2,1H3,(H,22,23).
What are the key properties of N-(6-chloro-3-pyridinyl)-6-fluoro-5-[(4-methoxy-2,7-dihydro-1H-pyrrolo[2,3-d]triazin-5-yl)methyl]pyridin-2-amine?
N-(6-chloro-3-pyridinyl)-6-fluoro-5-[(4-methoxy-2,7-dihydro-1H-pyrrolo[2,3-d]triazin-5-yl)methyl]pyridin-2-amine has a molecular weight of 387.81 g/mol, XLogP of 3.17, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-6-fluoro-5-[(4-methoxy-2,7-dihydro-1H-pyrrolo[2,3-d]triazin-5-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 137232721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).