(3S)-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 162658898

IUPAC(3S)-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-/m0/s1
InChIKeyHTWNDSJWDMDEHE-KRWDZBQOSA-N
MW427.51 g/mol
LogP3.18
Rot. Bonds4

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

(3S)-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 162658898) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is (3S)-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(3S)-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 CID162658898
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name(3S)-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-/m0/s1
InChIKeyHTWNDSJWDMDEHE-KRWDZBQOSA-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 (3S)-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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Related Compounds

(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol
CID 137551968
(3~{R},4~{R})-~{N}4-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine
CID 155925935
9-(2-(1H-indazol-4-yl)vinyl)-N-(4-(dimethylphosphoryl)phenyl)-9H-purin-6-amine
CID 44561737
1-[(3-Methyl-1-{2-[(1,2,3-Trimethyl-1h-Indol-5-Yl)amino]pyrimidin-4-Yl}-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698379
rel-(3R,4R)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[1-(phenylmethyl)-1H-1,2,3-triazol-4-yl]-3-pyrrolidinol
CID 46939411
(1R)-1-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethanol
CID 58394866
(3R)-1-[[1-[2-[(3-chloro-1,2-dimethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 89708625
2-[5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]propan-2-ol
CID 146597374
N-ethyl-6-fluoro-3-(2-pyrrolidin-3-yloxypyrimidin-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
CID 146597498
(1S)-1-[5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]ethanol
CID 146646130
(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(1-benzyltriazol-4-yl)methylsulfanylmethyl]pyrrolidin-3-ol
CID 155516911
N-[3-[7-[4-[(dimethylamino)methyl]-3-methylpyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-1-methylindol-5-yl]acetamide
CID 162643078

Frequently Asked Questions

What is the IUPAC name of (3S)-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 (3S)-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 162658898) is (3S)-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 (3S)-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 (3S)-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 (3S)-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-KRWDZBQOSA-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-/m0/s1.
What are the key properties of (3S)-1-[[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methyl]pyrrolidin-3-ol?
(3S)-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 (3S)-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 162658898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).