[4-[6-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]pyrimidin-4-yl]cyclohexyl] carbamate

C24H28N6O4S — CID 175377588

IUPAC[4-[6-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]pyrimidin-4-yl]cyclohexyl] carbamate
SMILESCc1cc(Nc2ccc(-c3cc(C4CCC(OC(N)=O)CC4)ncn3)c(S(=O)(=O)C3CC3)c2)n[nH]1
InChIInChI=1S/C24H28N6O4S/c1-14-10-23(30-29-14)28-16-4-9-19(22(11-16)35(32,33)18-7-8-18)21-12-20(26-13-27-21)15-2-5-17(6-3-15)34-24(25)31/h4,9-13,15,17-18H,2-3,5-8H2,1H3,(H2,25,31)(H2,28,29,30)
InChIKeySJCRECDBRXZPET-UHFFFAOYSA-N
MW496.59 g/mol
LogP3.98
Rot. Bonds7

About [4-[6-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]pyrimidin-4-yl]cyclohexyl] carbamate

[4-[6-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]pyrimidin-4-yl]cyclohexyl] carbamate (PubChem CID 175377588) has the molecular formula C24H28N6O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is [4-[6-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]pyrimidin-4-yl]cyclohexyl] carbamate.

Molecular Properties

Compound Name[4-[6-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]pyrimidin-4-yl]cyclohexyl] carbamate
PubChem CID175377588
Molecular FormulaC24H28N6O4S
Molecular Weight496.59 g/mol
Exact Mass496.19
IUPAC Name[4-[6-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]pyrimidin-4-yl]cyclohexyl] carbamate
SMILESCc1cc(Nc2ccc(-c3cc(C4CCC(OC(N)=O)CC4)ncn3)c(S(=O)(=O)C3CC3)c2)n[nH]1
InChIInChI=1S/C24H28N6O4S/c1-14-10-23(30-29-14)28-16-4-9-19(22(11-16)35(32,33)18-7-8-18)21-12-20(26-13-27-21)15-2-5-17(6-3-15)34-24(25)31/h4,9-13,15,17-18H,2-3,5-8H2,1H3,(H2,25,31)(H2,28,29,30)
InChIKeySJCRECDBRXZPET-UHFFFAOYSA-N
XLogP3.98
TPSA152.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[5-[2-cyclopropylsulfonyl-4-[(1,5-dimethylpyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl] carbamate
CID 175354474
[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate
CID 175185632
propan-2-yl N-[4-[5-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate
CID 167262272
propan-2-yl N-[4-[5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(oxetan-3-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 166513633
propan-2-yl N-[4-[5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(oxolan-3-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 156832506
[(1R,3S)-3-[5-(4-sulfamoylanilino)pyrazin-2-yl]cyclopentyl] carbamate
CID 176902442
[3-[3-(4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176874944
[4-[5-[2-cyclopropylsulfonyl-4-(pyridin-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid
CID 175354308
propan-2-yl N-[4-[5-[2-cyclopropylsulfonyl-4-[(5-methyl-2-pyridinyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 167262093
[(1R,3S)-3-[3-[4-[(methylsulfonimidoyl)methyl]anilino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076338
2-[(6-cyclopropylpyrimidin-4-yl)amino]ethanol;ethyl acetate
CID 174793793
propan-2-yl N-[4-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(cyclopropylsulfonimidoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 166513590

Frequently Asked Questions

What is the IUPAC name of [4-[6-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]pyrimidin-4-yl]cyclohexyl] carbamate?
The IUPAC name of [4-[6-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]pyrimidin-4-yl]cyclohexyl] carbamate (CID 175377588) is [4-[6-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]pyrimidin-4-yl]cyclohexyl] carbamate.
What is the SMILES notation for [4-[6-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]pyrimidin-4-yl]cyclohexyl] carbamate?
The canonical SMILES for [4-[6-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]pyrimidin-4-yl]cyclohexyl] carbamate is Cc1cc(Nc2ccc(-c3cc(C4CCC(OC(N)=O)CC4)ncn3)c(S(=O)(=O)C3CC3)c2)n[nH]1.
What is the InChIKey of [4-[6-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]pyrimidin-4-yl]cyclohexyl] carbamate?
The InChIKey is SJCRECDBRXZPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4S/c1-14-10-23(30-29-14)28-16-4-9-19(22(11-16)35(32,33)18-7-8-18)21-12-20(26-13-27-21)15-2-5-17(6-3-15)34-24(25)31/h4,9-13,15,17-18H,2-3,5-8H2,1H3,(H2,25,31)(H2,28,29,30).
What are the key properties of [4-[6-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]pyrimidin-4-yl]cyclohexyl] carbamate?
[4-[6-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]pyrimidin-4-yl]cyclohexyl] carbamate has a molecular weight of 496.59 g/mol, XLogP of 3.98, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]pyrimidin-4-yl]cyclohexyl] carbamate is sourced from PubChem (CID 175377588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).