[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol

C20H17ClN4O — CID 59506887

IUPAC[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
SMILESOC(c1ccc(NCc2ccc(Cl)cc2)nc1)c1c[nH]c2ncccc12
InChIInChI=1S/C20H17ClN4O/c21-15-6-3-13(4-7-15)10-23-18-8-5-14(11-24-18)19(26)17-12-25-20-16(17)2-1-9-22-20/h1-9,11-12,19,26H,10H2,(H,22,25)(H,23,24)
InChIKeyNGJSMFFFKADTHZ-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.31
Rot. Bonds5

About [6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol

[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol (PubChem CID 59506887) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is [6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol.

Molecular Properties

Compound Name[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
PubChem CID59506887
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
SMILESOC(c1ccc(NCc2ccc(Cl)cc2)nc1)c1c[nH]c2ncccc12
InChIInChI=1S/C20H17ClN4O/c21-15-6-3-13(4-7-15)10-23-18-8-5-14(11-24-18)19(26)17-12-25-20-16(17)2-1-9-22-20/h1-9,11-12,19,26H,10H2,(H,22,25)(H,23,24)
InChIKeyNGJSMFFFKADTHZ-UHFFFAOYSA-N
XLogP4.31
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The IUPAC name of [6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol (CID 59506887) is [6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol.
What is the SMILES notation for [6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The canonical SMILES for [6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol is OC(c1ccc(NCc2ccc(Cl)cc2)nc1)c1c[nH]c2ncccc12.
What is the InChIKey of [6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The InChIKey is NGJSMFFFKADTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c21-15-6-3-13(4-7-15)10-23-18-8-5-14(11-24-18)19(26)17-12-25-20-16(17)2-1-9-22-20/h1-9,11-12,19,26H,10H2,(H,22,25)(H,23,24).
What are the key properties of [6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol has a molecular weight of 364.84 g/mol, XLogP of 4.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol is sourced from PubChem (CID 59506887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).