N-[[4-methyl-5-[3-(7-pyrrolidin-1-yl-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine

C25H29N9 — CID 163606251

IUPACN-[[4-methyl-5-[3-(7-pyrrolidin-1-yl-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2cnc3n[nH]c(C4Nc5cncc(N6CCCC6)c5N4)c3c2)c1C
InChIInChI=1S/C25H29N9/c1-3-26-9-17-10-27-12-19(15(17)2)16-8-18-22(32-33-24(18)29-11-16)25-30-20-13-28-14-21(23(20)31-25)34-6-4-5-7-34/h8,10-14,25-26,30-31H,3-7,9H2,1-2H3,(H,29,32,33)
InChIKeyHCBHKJZUOGMIBL-UHFFFAOYSA-N
MW455.57 g/mol
LogP3.97
Rot. Bonds6

About N-[[4-methyl-5-[3-(7-pyrrolidin-1-yl-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine

N-[[4-methyl-5-[3-(7-pyrrolidin-1-yl-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine (PubChem CID 163606251) has the molecular formula C25H29N9 and a molecular weight of 455.57 g/mol. Its IUPAC name is N-[[4-methyl-5-[3-(7-pyrrolidin-1-yl-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-5-[3-(7-pyrrolidin-1-yl-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
PubChem CID163606251
Molecular FormulaC25H29N9
Molecular Weight455.57 g/mol
Exact Mass455.25
IUPAC NameN-[[4-methyl-5-[3-(7-pyrrolidin-1-yl-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2cnc3n[nH]c(C4Nc5cncc(N6CCCC6)c5N4)c3c2)c1C
InChIInChI=1S/C25H29N9/c1-3-26-9-17-10-27-12-19(15(17)2)16-8-18-22(32-33-24(18)29-11-16)25-30-20-13-28-14-21(23(20)31-25)34-6-4-5-7-34/h8,10-14,25-26,30-31H,3-7,9H2,1-2H3,(H,29,32,33)
InChIKeyHCBHKJZUOGMIBL-UHFFFAOYSA-N
XLogP3.97
TPSA106.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 53.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1,2-dihydroimidazo[4,5-c]pyridin-3-amine
CID 121258625
2-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]-N-[[4-methyl-5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137062295
N-[5-[3-[4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 90078651
1-[4-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperazin-1-yl]ethanone
CID 135992288
2-[4-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 135992231
N-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81249710
2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1H-imidazole-5-carboxamide
CID 135537710
N-[(4-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 81248447
N-[[5-(1H-indazol-5-yl)-4-methyl-3-pyridinyl]methyl]ethanamine
CID 141037155
N-cyclohexyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide
CID 135992311
[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 135992248
4-[3-[2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-2,3-dihydro-1H-benzimidazol-4-yl]-5-fluorophenyl]morpholine
CID 90078701

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-5-[3-(7-pyrrolidin-1-yl-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-5-[3-(7-pyrrolidin-1-yl-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine (CID 163606251) is N-[[4-methyl-5-[3-(7-pyrrolidin-1-yl-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-5-[3-(7-pyrrolidin-1-yl-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-5-[3-(7-pyrrolidin-1-yl-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(-c2cnc3n[nH]c(C4Nc5cncc(N6CCCC6)c5N4)c3c2)c1C.
What is the InChIKey of N-[[4-methyl-5-[3-(7-pyrrolidin-1-yl-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine?
The InChIKey is HCBHKJZUOGMIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9/c1-3-26-9-17-10-27-12-19(15(17)2)16-8-18-22(32-33-24(18)29-11-16)25-30-20-13-28-14-21(23(20)31-25)34-6-4-5-7-34/h8,10-14,25-26,30-31H,3-7,9H2,1-2H3,(H,29,32,33).
What are the key properties of N-[[4-methyl-5-[3-(7-pyrrolidin-1-yl-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine?
N-[[4-methyl-5-[3-(7-pyrrolidin-1-yl-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine has a molecular weight of 455.57 g/mol, XLogP of 3.97, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-5-[3-(7-pyrrolidin-1-yl-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 163606251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).