4-[5-(pyrrolidin-3-ylamino)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)benzonitrile

C24H24N8O — CID 66599580

IUPAC4-[5-(pyrrolidin-3-ylamino)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)benzonitrile
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)c2nc3nc(NC4CCNC4)ccc3[nH]2)ccc1C#N
InChIInChI=1S/C24H24N8O/c1-13-21(14(2)32(3)31-13)18-10-15(4-5-16(18)11-25)22(33)24-28-19-6-7-20(29-23(19)30-24)27-17-8-9-26-12-17/h4-7,10,17,26H,8-9,12H2,1-3H3,(H2,27,28,29,30)
InChIKeyNMRMRRPAIRIPGY-UHFFFAOYSA-N
MW440.51 g/mol
LogP2.85
Rot. Bonds5

About 4-[5-(pyrrolidin-3-ylamino)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)benzonitrile

4-[5-(pyrrolidin-3-ylamino)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)benzonitrile (PubChem CID 66599580) has the molecular formula C24H24N8O and a molecular weight of 440.51 g/mol. Its IUPAC name is 4-[5-(pyrrolidin-3-ylamino)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)benzonitrile.

Molecular Properties

Compound Name4-[5-(pyrrolidin-3-ylamino)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)benzonitrile
PubChem CID66599580
Molecular FormulaC24H24N8O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC Name4-[5-(pyrrolidin-3-ylamino)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)benzonitrile
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)c2nc3nc(NC4CCNC4)ccc3[nH]2)ccc1C#N
InChIInChI=1S/C24H24N8O/c1-13-21(14(2)32(3)31-13)18-10-15(4-5-16(18)11-25)22(33)24-28-19-6-7-20(29-23(19)30-24)27-17-8-9-26-12-17/h4-7,10,17,26H,8-9,12H2,1-3H3,(H2,27,28,29,30)
InChIKeyNMRMRRPAIRIPGY-UHFFFAOYSA-N
XLogP2.85
TPSA124.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(pyrrolidin-3-ylamino)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)benzonitrile?
The IUPAC name of 4-[5-(pyrrolidin-3-ylamino)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)benzonitrile (CID 66599580) is 4-[5-(pyrrolidin-3-ylamino)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)benzonitrile.
What is the SMILES notation for 4-[5-(pyrrolidin-3-ylamino)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)benzonitrile?
The canonical SMILES for 4-[5-(pyrrolidin-3-ylamino)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)benzonitrile is Cc1nn(C)c(C)c1-c1cc(C(=O)c2nc3nc(NC4CCNC4)ccc3[nH]2)ccc1C#N.
What is the InChIKey of 4-[5-(pyrrolidin-3-ylamino)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)benzonitrile?
The InChIKey is NMRMRRPAIRIPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O/c1-13-21(14(2)32(3)31-13)18-10-15(4-5-16(18)11-25)22(33)24-28-19-6-7-20(29-23(19)30-24)27-17-8-9-26-12-17/h4-7,10,17,26H,8-9,12H2,1-3H3,(H2,27,28,29,30).
What are the key properties of 4-[5-(pyrrolidin-3-ylamino)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)benzonitrile?
4-[5-(pyrrolidin-3-ylamino)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)benzonitrile has a molecular weight of 440.51 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(pyrrolidin-3-ylamino)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1,3,5-trimethylpyrazol-4-yl)benzonitrile is sourced from PubChem (CID 66599580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).