N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C27H31FN4O3S — CID 67198005

IUPACN-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(CC1CC1)C[C@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2
InChIInChI=1S/C27H31FN4O3S/c1-16-24-13-29-32(23-10-8-22(28)9-11-23)25(24)12-20-6-7-21(26(16)20)15-31(14-19-4-5-19)36(33,34)27-17(2)30-35-18(27)3/h8-11,13,16,19,21H,4-7,12,14-15H2,1-3H3/t16-,21+/m0/s1
InChIKeySRZNZMJBYZMFHV-HRAATJIYSA-N
MW510.64 g/mol
LogP5.08
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 67198005) has the molecular formula C27H31FN4O3S and a molecular weight of 510.64 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID67198005
Molecular FormulaC27H31FN4O3S
Molecular Weight510.64 g/mol
Exact Mass510.21
IUPAC NameN-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(CC1CC1)C[C@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2
InChIInChI=1S/C27H31FN4O3S/c1-16-24-13-29-32(23-10-8-22(28)9-11-23)25(24)12-20-6-7-21(26(16)20)15-31(14-19-4-5-19)36(33,34)27-17(2)30-35-18(27)3/h8-11,13,16,19,21H,4-7,12,14-15H2,1-3H3/t16-,21+/m0/s1
InChIKeySRZNZMJBYZMFHV-HRAATJIYSA-N
XLogP5.08
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

4''-Pyrazol-1-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 22103787
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-fluorobenzenesulfonamide
CID 57945004
5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide
CID 2738186
3,5-Dimethyl-4-[[2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]-1,2-oxazole
CID 53186373
3,5-Dimethyl-4-{[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-A][1,4]diazepin-5(6H)-YL]sulfonyl}isoxazole
CID 53186376
3,5-dimethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,2-oxazole-4-sulfonamide
CID 56902977
3,5-dimethyl-N-((2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl)methyl)isoxazole-4-sulfonamide
CID 122245923
3,5-dimethyl-N-{[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-5-yl]methyl}-1,2-oxazole-4-sulfonamide
CID 137966671
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-(4-fluorobenzyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 19916034
4-[(8-Fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 24865988
N-[[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methyl]-N-(cyanomethyl)-5-methyl-1,2-oxazole-4-sulfonamide
CID 44217405
N-[[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-sulfonamide
CID 44218514

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 67198005) is N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(CC1CC1)C[C@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is SRZNZMJBYZMFHV-HRAATJIYSA-N. The full InChI is InChI=1S/C27H31FN4O3S/c1-16-24-13-29-32(23-10-8-22(28)9-11-23)25(24)12-20-6-7-21(26(16)20)15-31(14-19-4-5-19)36(33,34)27-17(2)30-35-18(27)3/h8-11,13,16,19,21H,4-7,12,14-15H2,1-3H3/t16-,21+/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 510.64 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 67198005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).