6-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-ol

C21H25N5O — CID 165156684

IUPAC6-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-ol
SMILESOc1ccc(-c2c[nH]c3nccc(N4CCCC5(CCCCN5)C4)c23)nc1
InChIInChI=1S/C21H25N5O/c27-15-4-5-17(23-12-15)16-13-24-20-19(16)18(6-10-22-20)26-11-3-8-21(14-26)7-1-2-9-25-21/h4-6,10,12-13,25,27H,1-3,7-9,11,14H2,(H,22,24)
InChIKeyPAKGCPHHMNPWAU-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.44
Rot. Bonds2

About 6-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-ol

6-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-ol (PubChem CID 165156684) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-ol.

Molecular Properties

Compound Name6-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-ol
PubChem CID165156684
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name6-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-ol
SMILESOc1ccc(-c2c[nH]c3nccc(N4CCCC5(CCCCN5)C4)c23)nc1
InChIInChI=1S/C21H25N5O/c27-15-4-5-17(23-12-15)16-13-24-20-19(16)18(6-10-22-20)26-11-3-8-21(14-26)7-1-2-9-25-21/h4-6,10,12-13,25,27H,1-3,7-9,11,14H2,(H,22,24)
InChIKeyPAKGCPHHMNPWAU-UHFFFAOYSA-N
XLogP3.44
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 22343463
5-fluoro-2-[(3S)-3-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-3-ol
CID 136250327
2,6-difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 145986466
3-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 6538769
(2S)-2-[[6-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
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5-(6-morpholino-9H-purin-2-yl)pyridin-3-ol
CID 24936051
5-(6-morpholino-9-(piperidin-4-yl)-9H-purin-2-yl)pyridin-3-ol
CID 25071204
3-(4-Morpholin-4-yl-7-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol
CID 42632991
3-(4-morpholino-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol
CID 42635321
2-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-ylamino)phenol
CID 44416137
3-(4-Morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenol
CID 44600651

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-ol?
The IUPAC name of 6-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-ol (CID 165156684) is 6-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-ol.
What is the SMILES notation for 6-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-ol?
The canonical SMILES for 6-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-ol is Oc1ccc(-c2c[nH]c3nccc(N4CCCC5(CCCCN5)C4)c23)nc1.
What is the InChIKey of 6-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-ol?
The InChIKey is PAKGCPHHMNPWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c27-15-4-5-17(23-12-15)16-13-24-20-19(16)18(6-10-22-20)26-11-3-8-21(14-26)7-1-2-9-25-21/h4-6,10,12-13,25,27H,1-3,7-9,11,14H2,(H,22,24).
What are the key properties of 6-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-ol?
6-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-ol has a molecular weight of 363.47 g/mol, XLogP of 3.44, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-ol is sourced from PubChem (CID 165156684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).