N-[1-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperidin-4-yl]-4-propan-2-yloxybenzenesulfonamide

C25H30N6O3S — CID 161420542

IUPACN-[1-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperidin-4-yl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NC2CCN(c3ncnc4c3C=C(c3cnn(C)c3)C4)CC2)cc1
InChIInChI=1S/C25H30N6O3S/c1-17(2)34-21-4-6-22(7-5-21)35(32,33)29-20-8-10-31(11-9-20)25-23-12-18(13-24(23)26-16-27-25)19-14-28-30(3)15-19/h4-7,12,14-17,20,29H,8-11,13H2,1-3H3
InChIKeyVWRBYHPBAGQEBH-UHFFFAOYSA-N
MW494.62 g/mol
LogP3.04
Rot. Bonds7

About N-[1-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperidin-4-yl]-4-propan-2-yloxybenzenesulfonamide

N-[1-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperidin-4-yl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 161420542) has the molecular formula C25H30N6O3S and a molecular weight of 494.62 g/mol. Its IUPAC name is N-[1-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperidin-4-yl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperidin-4-yl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID161420542
Molecular FormulaC25H30N6O3S
Molecular Weight494.62 g/mol
Exact Mass494.21
IUPAC NameN-[1-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperidin-4-yl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NC2CCN(c3ncnc4c3C=C(c3cnn(C)c3)C4)CC2)cc1
InChIInChI=1S/C25H30N6O3S/c1-17(2)34-21-4-6-22(7-5-21)35(32,33)29-20-8-10-31(11-9-20)25-23-12-18(13-24(23)26-16-27-25)19-14-28-30(3)15-19/h4-7,12,14-17,20,29H,8-11,13H2,1-3H3
InChIKeyVWRBYHPBAGQEBH-UHFFFAOYSA-N
XLogP3.04
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-chloro-N-[1-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperidin-4-yl]thiophene-2-sulfonamide
CID 147747191
N-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide
CID 110736348
4-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712586
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide
CID 90634090
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110736321
4-methyl-N-[3-methyl-1-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]benzenesulfonamide
CID 90114544
4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621518
4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 23609654
4-(2,2-difluoroethoxy)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 75477000
N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]quinoline-3-sulfonamide
CID 118521609
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
CID 22772651
4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperidin-4-yl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[1-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperidin-4-yl]-4-propan-2-yloxybenzenesulfonamide (CID 161420542) is N-[1-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperidin-4-yl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[1-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperidin-4-yl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[1-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperidin-4-yl]-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)NC2CCN(c3ncnc4c3C=C(c3cnn(C)c3)C4)CC2)cc1.
What is the InChIKey of N-[1-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperidin-4-yl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is VWRBYHPBAGQEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3S/c1-17(2)34-21-4-6-22(7-5-21)35(32,33)29-20-8-10-31(11-9-20)25-23-12-18(13-24(23)26-16-27-25)19-14-28-30(3)15-19/h4-7,12,14-17,20,29H,8-11,13H2,1-3H3.
What are the key properties of N-[1-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperidin-4-yl]-4-propan-2-yloxybenzenesulfonamide?
N-[1-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperidin-4-yl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 494.62 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperidin-4-yl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 161420542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).