5-[3-(1-methyl-4-pyridin-4-ylbenzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine

C24H18N8 — CID 134409350

IUPAC5-[3-(1-methyl-4-pyridin-4-ylbenzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
SMILESCn1c(-c2[nH]nc3ncc(-c4cncc(N)c4)cc23)nc2c(-c3ccncc3)cccc21
InChIInChI=1S/C24H18N8/c1-32-20-4-2-3-18(14-5-7-26-8-6-14)21(20)29-24(32)22-19-10-16(12-28-23(19)31-30-22)15-9-17(25)13-27-11-15/h2-13H,25H2,1H3,(H,28,30,31)
InChIKeyBSRVWJVFHUAWRA-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.22
Rot. Bonds3

About 5-[3-(1-methyl-4-pyridin-4-ylbenzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine

5-[3-(1-methyl-4-pyridin-4-ylbenzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 134409350) has the molecular formula C24H18N8 and a molecular weight of 418.46 g/mol. Its IUPAC name is 5-[3-(1-methyl-4-pyridin-4-ylbenzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[3-(1-methyl-4-pyridin-4-ylbenzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
PubChem CID134409350
Molecular FormulaC24H18N8
Molecular Weight418.46 g/mol
Exact Mass418.17
IUPAC Name5-[3-(1-methyl-4-pyridin-4-ylbenzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
SMILESCn1c(-c2[nH]nc3ncc(-c4cncc(N)c4)cc23)nc2c(-c3ccncc3)cccc21
InChIInChI=1S/C24H18N8/c1-32-20-4-2-3-18(14-5-7-26-8-6-14)21(20)29-24(32)22-19-10-16(12-28-23(19)31-30-22)15-9-17(25)13-27-11-15/h2-13H,25H2,1H3,(H,28,30,31)
InChIKeyBSRVWJVFHUAWRA-UHFFFAOYSA-N
XLogP4.22
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 137040412
5-[3-(1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 137041071
5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 137310806
N-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine
CID 145245443
3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 137056035
5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137280863
4-[3-fluoro-5-[3-methyl-2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine
CID 139418142
2-phenyl-1-[[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]ethanol
CID 137130536
2-[5-(5-ethyl-2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine
CID 137156072
6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
CID 59860126
6-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-amine
CID 96604117
5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137040349

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-methyl-4-pyridin-4-ylbenzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?
The IUPAC name of 5-[3-(1-methyl-4-pyridin-4-ylbenzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine (CID 134409350) is 5-[3-(1-methyl-4-pyridin-4-ylbenzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-[3-(1-methyl-4-pyridin-4-ylbenzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?
The canonical SMILES for 5-[3-(1-methyl-4-pyridin-4-ylbenzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine is Cn1c(-c2[nH]nc3ncc(-c4cncc(N)c4)cc23)nc2c(-c3ccncc3)cccc21.
What is the InChIKey of 5-[3-(1-methyl-4-pyridin-4-ylbenzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?
The InChIKey is BSRVWJVFHUAWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N8/c1-32-20-4-2-3-18(14-5-7-26-8-6-14)21(20)29-24(32)22-19-10-16(12-28-23(19)31-30-22)15-9-17(25)13-27-11-15/h2-13H,25H2,1H3,(H,28,30,31).
What are the key properties of 5-[3-(1-methyl-4-pyridin-4-ylbenzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?
5-[3-(1-methyl-4-pyridin-4-ylbenzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 418.46 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-methyl-4-pyridin-4-ylbenzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 134409350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).