N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide

C21H18F2N4O — CID 177050074

IUPACN-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide
SMILESO=C(N[C@H]1CCc2nn(-c3ccnc(C4CC4)c3)cc21)c1cc(F)cc(F)c1
InChIInChI=1S/C21H18F2N4O/c22-14-7-13(8-15(23)9-14)21(28)25-18-3-4-19-17(18)11-27(26-19)16-5-6-24-20(10-16)12-1-2-12/h5-12,18H,1-4H2,(H,25,28)/t18-/m0/s1
InChIKeyBWXQHIATMDNTQL-SFHVURJKSA-N
MW380.40 g/mol
LogP3.84
Rot. Bonds4

About N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide

N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide (PubChem CID 177050074) has the molecular formula C21H18F2N4O and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide
PubChem CID177050074
Molecular FormulaC21H18F2N4O
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC NameN-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide
SMILESO=C(N[C@H]1CCc2nn(-c3ccnc(C4CC4)c3)cc21)c1cc(F)cc(F)c1
InChIInChI=1S/C21H18F2N4O/c22-14-7-13(8-15(23)9-14)21(28)25-18-3-4-19-17(18)11-27(26-19)16-5-6-24-20(10-16)12-1-2-12/h5-12,18H,1-4H2,(H,25,28)/t18-/m0/s1
InChIKeyBWXQHIATMDNTQL-SFHVURJKSA-N
XLogP3.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide?
The IUPAC name of N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide (CID 177050074) is N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide?
The canonical SMILES for N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide is O=C(N[C@H]1CCc2nn(-c3ccnc(C4CC4)c3)cc21)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide?
The InChIKey is BWXQHIATMDNTQL-SFHVURJKSA-N. The full InChI is InChI=1S/C21H18F2N4O/c22-14-7-13(8-15(23)9-14)21(28)25-18-3-4-19-17(18)11-27(26-19)16-5-6-24-20(10-16)12-1-2-12/h5-12,18H,1-4H2,(H,25,28)/t18-/m0/s1.
What are the key properties of N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide?
N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide has a molecular weight of 380.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide is sourced from PubChem (CID 177050074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).