4-[4-[3-(3-methyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine

C21H29N5O — CID 143731732

IUPAC4-[4-[3-(3-methyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine
SMILESCC1NNC=C1c1c[nH]c2ncc(C3CCC(N4CCOCC4)CC3)cc12
InChIInChI=1S/C21H29N5O/c1-14-19(13-24-25-14)20-12-23-21-18(20)10-16(11-22-21)15-2-4-17(5-3-15)26-6-8-27-9-7-26/h10-15,17,24-25H,2-9H2,1H3,(H,22,23)
InChIKeyAFFANSRIJFNIIP-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.76
Rot. Bonds3

About 4-[4-[3-(3-methyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine

4-[4-[3-(3-methyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine (PubChem CID 143731732) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 4-[4-[3-(3-methyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(3-methyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine
PubChem CID143731732
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name4-[4-[3-(3-methyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine
SMILESCC1NNC=C1c1c[nH]c2ncc(C3CCC(N4CCOCC4)CC3)cc12
InChIInChI=1S/C21H29N5O/c1-14-19(13-24-25-14)20-12-23-21-18(20)10-16(11-22-21)15-2-4-17(5-3-15)26-6-8-27-9-7-26/h10-15,17,24-25H,2-9H2,1H3,(H,22,23)
InChIKeyAFFANSRIJFNIIP-UHFFFAOYSA-N
XLogP2.76
TPSA65.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine
CID 24994988
(4-methylpiperazin-1-yl)-[4-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]methanone
CID 24993424
3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine
CID 25024002
5-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 143731723
5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 25024004
5-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59238625
sodium;4-[4-[1-(benzenesulfonyl)-3-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]-1,4-oxazepane;4-[4-[3-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]-1,4-oxazepane;hydroxide
CID 158275350
4-[4-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;4-[4-[3-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine
CID 162228556
5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 147382339
4-(5-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methyl-1,3-thiazole;ethane;1,4-oxazepane
CID 143731585
4-[4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine
CID 59238624
N,N-diethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine
CID 143731812

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3-methyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine?
The IUPAC name of 4-[4-[3-(3-methyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine (CID 143731732) is 4-[4-[3-(3-methyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine.
What is the SMILES notation for 4-[4-[3-(3-methyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine?
The canonical SMILES for 4-[4-[3-(3-methyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine is CC1NNC=C1c1c[nH]c2ncc(C3CCC(N4CCOCC4)CC3)cc12.
What is the InChIKey of 4-[4-[3-(3-methyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine?
The InChIKey is AFFANSRIJFNIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-14-19(13-24-25-14)20-12-23-21-18(20)10-16(11-22-21)15-2-4-17(5-3-15)26-6-8-27-9-7-26/h10-15,17,24-25H,2-9H2,1H3,(H,22,23).
What are the key properties of 4-[4-[3-(3-methyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine?
4-[4-[3-(3-methyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine has a molecular weight of 367.50 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(3-methyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine is sourced from PubChem (CID 143731732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).