N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-6-(2-pyrrolidin-3-yl-4-pyridinyl)pyrrolo[3,2-b]pyridin-1-amine

C24H23ClFN5 — CID 58532329

IUPACN-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-6-(2-pyrrolidin-3-yl-4-pyridinyl)pyrrolo[3,2-b]pyridin-1-amine
SMILESCN(Cc1cc(F)ccc1Cl)n1ccc2ncc(-c3ccnc(C4CCNC4)c3)cc21
InChIInChI=1S/C24H23ClFN5/c1-30(15-19-10-20(26)2-3-21(19)25)31-9-6-22-24(31)12-18(14-29-22)16-5-8-28-23(11-16)17-4-7-27-13-17/h2-3,5-6,8-12,14,17,27H,4,7,13,15H2,1H3
InChIKeyBZTMCNFPYKHGEV-UHFFFAOYSA-N
MW435.93 g/mol
LogP4.74
Rot. Bonds5

About N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-6-(2-pyrrolidin-3-yl-4-pyridinyl)pyrrolo[3,2-b]pyridin-1-amine

N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-6-(2-pyrrolidin-3-yl-4-pyridinyl)pyrrolo[3,2-b]pyridin-1-amine (PubChem CID 58532329) has the molecular formula C24H23ClFN5 and a molecular weight of 435.93 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-6-(2-pyrrolidin-3-yl-4-pyridinyl)pyrrolo[3,2-b]pyridin-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-6-(2-pyrrolidin-3-yl-4-pyridinyl)pyrrolo[3,2-b]pyridin-1-amine
PubChem CID58532329
Molecular FormulaC24H23ClFN5
Molecular Weight435.93 g/mol
Exact Mass435.16
IUPAC NameN-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-6-(2-pyrrolidin-3-yl-4-pyridinyl)pyrrolo[3,2-b]pyridin-1-amine
SMILESCN(Cc1cc(F)ccc1Cl)n1ccc2ncc(-c3ccnc(C4CCNC4)c3)cc21
InChIInChI=1S/C24H23ClFN5/c1-30(15-19-10-20(26)2-3-21(19)25)31-9-6-22-24(31)12-18(14-29-22)16-5-8-28-23(11-16)17-4-7-27-13-17/h2-3,5-6,8-12,14,17,27H,4,7,13,15H2,1H3
InChIKeyBZTMCNFPYKHGEV-UHFFFAOYSA-N
XLogP4.74
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-6-(2-pyrrolidin-3-yl-4-pyridinyl)pyrrolo[3,2-b]pyridin-1-amine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-6-(2-pyrrolidin-3-yl-4-pyridinyl)pyrrolo[3,2-b]pyridin-1-amine (CID 58532329) is N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-6-(2-pyrrolidin-3-yl-4-pyridinyl)pyrrolo[3,2-b]pyridin-1-amine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-6-(2-pyrrolidin-3-yl-4-pyridinyl)pyrrolo[3,2-b]pyridin-1-amine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-6-(2-pyrrolidin-3-yl-4-pyridinyl)pyrrolo[3,2-b]pyridin-1-amine is CN(Cc1cc(F)ccc1Cl)n1ccc2ncc(-c3ccnc(C4CCNC4)c3)cc21.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-6-(2-pyrrolidin-3-yl-4-pyridinyl)pyrrolo[3,2-b]pyridin-1-amine?
The InChIKey is BZTMCNFPYKHGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5/c1-30(15-19-10-20(26)2-3-21(19)25)31-9-6-22-24(31)12-18(14-29-22)16-5-8-28-23(11-16)17-4-7-27-13-17/h2-3,5-6,8-12,14,17,27H,4,7,13,15H2,1H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-6-(2-pyrrolidin-3-yl-4-pyridinyl)pyrrolo[3,2-b]pyridin-1-amine?
N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-6-(2-pyrrolidin-3-yl-4-pyridinyl)pyrrolo[3,2-b]pyridin-1-amine has a molecular weight of 435.93 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-6-(2-pyrrolidin-3-yl-4-pyridinyl)pyrrolo[3,2-b]pyridin-1-amine is sourced from PubChem (CID 58532329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).