3-chloro-5-fluoro-N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide

C19H16ClFN4O2 — CID 177296115

IUPAC3-chloro-5-fluoro-N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide
SMILESCOc1cc(-c2cc3n(n2)CC[C@H]3NC(=O)c2cc(F)cc(Cl)c2)ccn1
InChIInChI=1S/C19H16ClFN4O2/c1-27-18-8-11(2-4-22-18)16-10-17-15(3-5-25(17)24-16)23-19(26)12-6-13(20)9-14(21)7-12/h2,4,6-10,15H,3,5H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyRHHVHTNEZDRNRR-OAHLLOKOSA-N
MW386.81 g/mol
LogP3.62
Rot. Bonds4

About 3-chloro-5-fluoro-N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide

3-chloro-5-fluoro-N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide (PubChem CID 177296115) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide
PubChem CID177296115
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC Name3-chloro-5-fluoro-N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide
SMILESCOc1cc(-c2cc3n(n2)CC[C@H]3NC(=O)c2cc(F)cc(Cl)c2)ccn1
InChIInChI=1S/C19H16ClFN4O2/c1-27-18-8-11(2-4-22-18)16-10-17-15(3-5-25(17)24-16)23-19(26)12-6-13(20)9-14(21)7-12/h2,4,6-10,15H,3,5H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyRHHVHTNEZDRNRR-OAHLLOKOSA-N
XLogP3.62
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-5-fluoro-N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide with MolForge

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Related Compounds

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
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-fluoro-5-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
CID 177050677
3-fluoro-5-(2-hydroxypropan-2-yl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide
CID 177296222
3-fluoro-N-[(4R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-(2-hydroxypropan-2-yl)benzamide
CID 177295959
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
3-chloro-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-4-yl]benzamide
CID 177050464
2-ethoxy-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyridine-4-carboxamide
CID 177050566
3-cyano-N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-methylbenzamide
CID 177051419
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
5-methoxy-2-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1,2,4-triazole-3-carboxamide
CID 177051596
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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide?
The IUPAC name of 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) is 3-chloro-5-fluoro-N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-chloro-5-fluoro-N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide?
The canonical SMILES for 3-chloro-5-fluoro-N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide is COc1cc(-c2cc3n(n2)CC[C@H]3NC(=O)c2cc(F)cc(Cl)c2)ccn1.
What is the InChIKey of 3-chloro-5-fluoro-N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide?
The InChIKey is RHHVHTNEZDRNRR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c1-27-18-8-11(2-4-22-18)16-10-17-15(3-5-25(17)24-16)23-19(26)12-6-13(20)9-14(21)7-12/h2,4,6-10,15H,3,5H2,1H3,(H,23,26)/t15-/m1/s1.
What are the key properties of 3-chloro-5-fluoro-N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide?
3-chloro-5-fluoro-N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide has a molecular weight of 386.81 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide is sourced from PubChem (CID 177296115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).