N,N-dimethyl-1-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine

C21H19N7 — CID 137039446

IUPACN,N-dimethyl-1-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
SMILESCN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3n2)c1
InChIInChI=1S/C21H19N7/c1-28(2)12-13-7-14(11-23-9-13)16-3-4-18-20(25-16)21(27-26-18)19-8-15-10-22-6-5-17(15)24-19/h3-11,24H,12H2,1-2H3,(H,26,27)
InChIKeyINGYULKXTYDSAQ-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.62
Rot. Bonds4

About N,N-dimethyl-1-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine

N,N-dimethyl-1-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine (PubChem CID 137039446) has the molecular formula C21H19N7 and a molecular weight of 369.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
PubChem CID137039446
Molecular FormulaC21H19N7
Molecular Weight369.43 g/mol
Exact Mass369.17
IUPAC NameN,N-dimethyl-1-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
SMILESCN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3n2)c1
InChIInChI=1S/C21H19N7/c1-28(2)12-13-7-14(11-23-9-13)16-3-4-18-20(25-16)21(27-26-18)19-8-15-10-22-6-5-17(15)24-19/h3-11,24H,12H2,1-2H3,(H,26,27)
InChIKeyINGYULKXTYDSAQ-UHFFFAOYSA-N
XLogP3.62
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine (CID 137039446) is N,N-dimethyl-1-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine is CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3n2)c1.
What is the InChIKey of N,N-dimethyl-1-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine?
The InChIKey is INGYULKXTYDSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7/c1-28(2)12-13-7-14(11-23-9-13)16-3-4-18-20(25-16)21(27-26-18)19-8-15-10-22-6-5-17(15)24-19/h3-11,24H,12H2,1-2H3,(H,26,27).
What are the key properties of N,N-dimethyl-1-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine?
N,N-dimethyl-1-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine has a molecular weight of 369.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 137039446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).