4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol

C27H37N7O2 — CID 20777040

IUPAC4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCc1c(-c2ccnc(NC3CCC(O)CC3)n2)c(NCCCN2CCOCC2)nn1-c1ccccc1
InChIInChI=1S/C27H37N7O2/c1-20-25(24-12-14-29-27(31-24)30-21-8-10-23(35)11-9-21)26(32-34(20)22-6-3-2-4-7-22)28-13-5-15-33-16-18-36-19-17-33/h2-4,6-7,12,14,21,23,35H,5,8-11,13,15-19H2,1H3,(H,28,32)(H,29,30,31)
InChIKeyLHZXILSCBIZIIO-UHFFFAOYSA-N
MW491.64 g/mol
LogP3.49
Rot. Bonds9

About 4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 20777040) has the molecular formula C27H37N7O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID20777040
Molecular FormulaC27H37N7O2
Molecular Weight491.64 g/mol
Exact Mass491.30
IUPAC Name4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCc1c(-c2ccnc(NC3CCC(O)CC3)n2)c(NCCCN2CCOCC2)nn1-c1ccccc1
InChIInChI=1S/C27H37N7O2/c1-20-25(24-12-14-29-27(31-24)30-21-8-10-23(35)11-9-21)26(32-34(20)22-6-3-2-4-7-22)28-13-5-15-33-16-18-36-19-17-33/h2-4,6-7,12,14,21,23,35H,5,8-11,13,15-19H2,1H3,(H,28,32)(H,29,30,31)
InChIKeyLHZXILSCBIZIIO-UHFFFAOYSA-N
XLogP3.49
TPSA100.36 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(thiolan-3-yl)pyrimidin-2-amine
CID 46982759
4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112882231
1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one
CID 59593244
4-[[4-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 143574911
4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 162627933
N-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 58702607
2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide
CID 107546554
4-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 129071969
5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide
CID 51155914
N-(3-morpholin-4-ylpropyl)-9-phenylpurin-6-amine
CID 44726219
N-cyclobutyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46985481
4-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)pyrimidin-2-amine
CID 46988994

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 20777040) is 4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol is Cc1c(-c2ccnc(NC3CCC(O)CC3)n2)c(NCCCN2CCOCC2)nn1-c1ccccc1.
What is the InChIKey of 4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is LHZXILSCBIZIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N7O2/c1-20-25(24-12-14-29-27(31-24)30-21-8-10-23(35)11-9-21)26(32-34(20)22-6-3-2-4-7-22)28-13-5-15-33-16-18-36-19-17-33/h2-4,6-7,12,14,21,23,35H,5,8-11,13,15-19H2,1H3,(H,28,32)(H,29,30,31).
What are the key properties of 4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 491.64 g/mol, XLogP of 3.49, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 20777040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).