1-methyl-N-[5-[3-[7-(pyrrolidin-1-ylmethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide

C30H34N10O2 — CID 137037497

IUPAC1-methyl-N-[5-[3-[7-(pyrrolidin-1-ylmethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cncc(-c3cnc4n[nH]c(-c5nc6nccc(COCN7CCCC7)c6[nH]5)c4c3)c2)CC1
InChIInChI=1S/C30H34N10O2/c1-39-10-5-19(6-11-39)30(41)34-23-12-21(14-31-16-23)22-13-24-26(37-38-27(24)33-15-22)29-35-25-20(4-7-32-28(25)36-29)17-42-18-40-8-2-3-9-40/h4,7,12-16,19H,2-3,5-6,8-11,17-18H2,1H3,(H,34,41)(H,32,35,36)(H,33,37,38)
InChIKeyCUZZLMOJRGWUFR-UHFFFAOYSA-N
MW566.67 g/mol
LogP3.81
Rot. Bonds8

About 1-methyl-N-[5-[3-[7-(pyrrolidin-1-ylmethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide

1-methyl-N-[5-[3-[7-(pyrrolidin-1-ylmethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide (PubChem CID 137037497) has the molecular formula C30H34N10O2 and a molecular weight of 566.67 g/mol. Its IUPAC name is 1-methyl-N-[5-[3-[7-(pyrrolidin-1-ylmethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[5-[3-[7-(pyrrolidin-1-ylmethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide
PubChem CID137037497
Molecular FormulaC30H34N10O2
Molecular Weight566.67 g/mol
Exact Mass566.29
IUPAC Name1-methyl-N-[5-[3-[7-(pyrrolidin-1-ylmethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cncc(-c3cnc4n[nH]c(-c5nc6nccc(COCN7CCCC7)c6[nH]5)c4c3)c2)CC1
InChIInChI=1S/C30H34N10O2/c1-39-10-5-19(6-11-39)30(41)34-23-12-21(14-31-16-23)22-13-24-26(37-38-27(24)33-15-22)29-35-25-20(4-7-32-28(25)36-29)17-42-18-40-8-2-3-9-40/h4,7,12-16,19H,2-3,5-6,8-11,17-18H2,1H3,(H,34,41)(H,32,35,36)(H,33,37,38)
InChIKeyCUZZLMOJRGWUFR-UHFFFAOYSA-N
XLogP3.81
TPSA140.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.67
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-methyl-N-[5-[3-[7-(pyrrolidin-1-ylmethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[5-[3-[7-[amino(methyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide
CID 137054256
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137054942
N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137055291
N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137056013
N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137056095
N-[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137054936
N-[5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137055333
3,3-dimethyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137056126
N-[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137056226
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 136946338
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136945939
N-(3,3-dimethylbut-1-en-2-yl)-5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 145037945

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[5-[3-[7-(pyrrolidin-1-ylmethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[5-[3-[7-(pyrrolidin-1-ylmethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide (CID 137037497) is 1-methyl-N-[5-[3-[7-(pyrrolidin-1-ylmethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[5-[3-[7-(pyrrolidin-1-ylmethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[5-[3-[7-(pyrrolidin-1-ylmethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide is CN1CCC(C(=O)Nc2cncc(-c3cnc4n[nH]c(-c5nc6nccc(COCN7CCCC7)c6[nH]5)c4c3)c2)CC1.
What is the InChIKey of 1-methyl-N-[5-[3-[7-(pyrrolidin-1-ylmethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide?
The InChIKey is CUZZLMOJRGWUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N10O2/c1-39-10-5-19(6-11-39)30(41)34-23-12-21(14-31-16-23)22-13-24-26(37-38-27(24)33-15-22)29-35-25-20(4-7-32-28(25)36-29)17-42-18-40-8-2-3-9-40/h4,7,12-16,19H,2-3,5-6,8-11,17-18H2,1H3,(H,34,41)(H,32,35,36)(H,33,37,38).
What are the key properties of 1-methyl-N-[5-[3-[7-(pyrrolidin-1-ylmethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide?
1-methyl-N-[5-[3-[7-(pyrrolidin-1-ylmethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide has a molecular weight of 566.67 g/mol, XLogP of 3.81, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[5-[3-[7-(pyrrolidin-1-ylmethoxymethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 137037497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).