1-[2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol

C20H24N6O — CID 56916330

IUPAC1-[2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccnc(-c3cc(NC4CCCC4)nc4[nH]ccc34)n2)C1
InChIInChI=1S/C20H24N6O/c27-14-7-10-26(12-14)18-6-9-22-20(25-18)16-11-17(23-13-3-1-2-4-13)24-19-15(16)5-8-21-19/h5-6,8-9,11,13-14,27H,1-4,7,10,12H2,(H2,21,23,24)
InChIKeyFTMBFBULVYCPCW-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.95
Rot. Bonds4

About 1-[2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol

1-[2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 56916330) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID56916330
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-[2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccnc(-c3cc(NC4CCCC4)nc4[nH]ccc34)n2)C1
InChIInChI=1S/C20H24N6O/c27-14-7-10-26(12-14)18-6-9-22-20(25-18)16-11-17(23-13-3-1-2-4-13)24-19-15(16)5-8-21-19/h5-6,8-9,11,13-14,27H,1-4,7,10,12H2,(H2,21,23,24)
InChIKeyFTMBFBULVYCPCW-UHFFFAOYSA-N
XLogP2.95
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

Slv320
CID 9953065
Fadraciclib
CID 24983461
Trans-4-{2-[(1r)-1-Hydroxyethyl]imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl}cyclohexanecarbonitrile
CID 58394837
(Trans-4-{2-[(1r)-1-Hydroxyethyl]imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl}cyclohexyl)acetonitrile
CID 58395078
3-(Trans-4-{2-[(1r)-1-Hydroxyethyl]imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl}cyclohexyl)propanenitrile
CID 58395283
1-methyl-4-(4-morpholin-4-yl-7H-pyrrolo(2,3-d)pyrimidin-5-yl)pyrrole-2-carbonitrile
CID 89915073
(2R,3S)-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol
CID 9842276
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol
CID 12111409
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol
CID 12111411
Cyclohexanol, 3-(2-MethyliMidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)-, (1R,3R)-
CID 56929216
(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
CID 67345882
CID 67345882

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol (CID 56916330) is 1-[2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol is OC1CCN(c2ccnc(-c3cc(NC4CCCC4)nc4[nH]ccc34)n2)C1.
What is the InChIKey of 1-[2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is FTMBFBULVYCPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c27-14-7-10-26(12-14)18-6-9-22-20(25-18)16-11-17(23-13-3-1-2-4-13)24-19-15(16)5-8-21-19/h5-6,8-9,11,13-14,27H,1-4,7,10,12H2,(H2,21,23,24).
What are the key properties of 1-[2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 364.45 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 56916330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).