(3R)-1-[[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol

C24H25N7O — CID 162671898

IUPAC(3R)-1-[[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol
SMILESCc1nn(-c2ccnc3nc(-c4cccc5c4ccn5C)[nH]c23)cc1CN1CC[C@@H](O)C1
InChIInChI=1S/C24H25N7O/c1-15-16(12-30-11-7-17(32)14-30)13-31(28-15)21-6-9-25-24-22(21)26-23(27-24)19-4-3-5-20-18(19)8-10-29(20)2/h3-6,8-10,13,17,32H,7,11-12,14H2,1-2H3,(H,25,26,27)/t17-/m1/s1
InChIKeyHTWNDSJWDMDEHE-QGZVFWFLSA-N
MW427.51 g/mol
LogP3.18
Rot. Bonds4

About (3R)-1-[[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol

(3R)-1-[[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol (PubChem CID 162671898) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is (3R)-1-[[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol
PubChem CID162671898
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name(3R)-1-[[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol
SMILESCc1nn(-c2ccnc3nc(-c4cccc5c4ccn5C)[nH]c23)cc1CN1CC[C@@H](O)C1
InChIInChI=1S/C24H25N7O/c1-15-16(12-30-11-7-17(32)14-30)13-31(28-15)21-6-9-25-24-22(21)26-23(27-24)19-4-3-5-20-18(19)8-10-29(20)2/h3-6,8-10,13,17,32H,7,11-12,14H2,1-2H3,(H,25,26,27)/t17-/m1/s1
InChIKeyHTWNDSJWDMDEHE-QGZVFWFLSA-N
XLogP3.18
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R)-1-[[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol (CID 162671898) is (3R)-1-[[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol is Cc1nn(-c2ccnc3nc(-c4cccc5c4ccn5C)[nH]c23)cc1CN1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The InChIKey is HTWNDSJWDMDEHE-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H25N7O/c1-15-16(12-30-11-7-17(32)14-30)13-31(28-15)21-6-9-25-24-22(21)26-23(27-24)19-4-3-5-20-18(19)8-10-29(20)2/h3-6,8-10,13,17,32H,7,11-12,14H2,1-2H3,(H,25,26,27)/t17-/m1/s1.
What are the key properties of (3R)-1-[[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol?
(3R)-1-[[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol has a molecular weight of 427.51 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 162671898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).