3-cyano-N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-methylbenzamide

C23H21N5O — CID 177051419

IUPAC3-cyano-N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-methylbenzamide
SMILESCc1cc(C#N)cc(C(=O)N[C@H]2CCn3nc(-c4ccnc(C5CC5)c4)cc32)c1
InChIInChI=1S/C23H21N5O/c1-14-8-15(13-24)10-18(9-14)23(29)26-19-5-7-28-22(19)12-21(27-28)17-4-6-25-20(11-17)16-2-3-16/h4,6,8-12,16,19H,2-3,5,7H2,1H3,(H,26,29)/t19-/m0/s1
InChIKeyGNCZHIMAXQXXPL-IBGZPJMESA-N
MW383.46 g/mol
LogP3.88
Rot. Bonds4

About 3-cyano-N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-methylbenzamide

3-cyano-N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-methylbenzamide (PubChem CID 177051419) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 3-cyano-N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-methylbenzamide.

Molecular Properties

Compound Name3-cyano-N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-methylbenzamide
PubChem CID177051419
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name3-cyano-N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-methylbenzamide
SMILESCc1cc(C#N)cc(C(=O)N[C@H]2CCn3nc(-c4ccnc(C5CC5)c4)cc32)c1
InChIInChI=1S/C23H21N5O/c1-14-8-15(13-24)10-18(9-14)23(29)26-19-5-7-28-22(19)12-21(27-28)17-4-6-25-20(11-17)16-2-3-16/h4,6,8-12,16,19H,2-3,5,7H2,1H3,(H,26,29)/t19-/m0/s1
InChIKeyGNCZHIMAXQXXPL-IBGZPJMESA-N
XLogP3.88
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyano-N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-methylbenzamide with MolForge

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Related Compounds

3-cyano-N-[2-[2-(1,1-difluoroethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide
CID 177051552
N-[2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-propan-2-yloxypyridine-4-carboxamide
CID 177051539
N-[(4R)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 177296209
3-cyano-5-fluoro-N-[(4R)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-4-yl]benzamide
CID 177051690
N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 177296060
3-cyano-4-fluoro-N-[(4S)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide
CID 177050054
3-chloro-5-fluoro-N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide
CID 177296115
N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 177296047
3-cyanobenzamide;2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 177050395
2,6-dimethyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-4-carboxamide
CID 177051168
N-[(4R)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide
CID 177296022
3-cyano-N-[(4R)-2-(2-methoxy-5-methyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
CID 177295994

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-methylbenzamide?
The IUPAC name of 3-cyano-N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-methylbenzamide (CID 177051419) is 3-cyano-N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-methylbenzamide.
What is the SMILES notation for 3-cyano-N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-methylbenzamide?
The canonical SMILES for 3-cyano-N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-methylbenzamide is Cc1cc(C#N)cc(C(=O)N[C@H]2CCn3nc(-c4ccnc(C5CC5)c4)cc32)c1.
What is the InChIKey of 3-cyano-N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-methylbenzamide?
The InChIKey is GNCZHIMAXQXXPL-IBGZPJMESA-N. The full InChI is InChI=1S/C23H21N5O/c1-14-8-15(13-24)10-18(9-14)23(29)26-19-5-7-28-22(19)12-21(27-28)17-4-6-25-20(11-17)16-2-3-16/h4,6,8-12,16,19H,2-3,5,7H2,1H3,(H,26,29)/t19-/m0/s1.
What are the key properties of 3-cyano-N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-methylbenzamide?
3-cyano-N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-methylbenzamide has a molecular weight of 383.46 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-methylbenzamide is sourced from PubChem (CID 177051419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).