6-fluoro-4a-methyl-2-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]benzimidazole-8-carboxamide

C16H20FN5O — CID 163430671

IUPAC6-fluoro-4a-methyl-2-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]benzimidazole-8-carboxamide
SMILESCC12CC(F)=CC(C(N)=O)=C1n1nc(C3CCNCC3)cc1N2
InChIInChI=1S/C16H20FN5O/c1-16-8-10(17)6-11(15(18)23)14(16)22-13(20-16)7-12(21-22)9-2-4-19-5-3-9/h6-7,9,19-20H,2-5,8H2,1H3,(H2,18,23)
InChIKeyAQFGEODNTDILFT-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.49
Rot. Bonds2

About 6-fluoro-4a-methyl-2-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]benzimidazole-8-carboxamide

6-fluoro-4a-methyl-2-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]benzimidazole-8-carboxamide (PubChem CID 163430671) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 6-fluoro-4a-methyl-2-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound Name6-fluoro-4a-methyl-2-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]benzimidazole-8-carboxamide
PubChem CID163430671
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name6-fluoro-4a-methyl-2-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]benzimidazole-8-carboxamide
SMILESCC12CC(F)=CC(C(N)=O)=C1n1nc(C3CCNCC3)cc1N2
InChIInChI=1S/C16H20FN5O/c1-16-8-10(17)6-11(15(18)23)14(16)22-13(20-16)7-12(21-22)9-2-4-19-5-3-9/h6-7,9,19-20H,2-5,8H2,1H3,(H2,18,23)
InChIKeyAQFGEODNTDILFT-UHFFFAOYSA-N
XLogP1.49
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

US10118930, Example 30
CID 137018250
US10118930, Example 26
CID 137018653
N-[1-(2,4-difluorocyclohexa-1,5-dien-1-yl)-3-piperidin-4-ylpyrazol-5-yl]-8-methylpyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide
CID 123634366
1-methyl-4-[2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one
CID 136253420
1-methyl-5-[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one
CID 136253481
1-methyl-4-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one
CID 136253540
1-methyl-5-[2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one
CID 136760477
3-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 136760499
5-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 136760505
1-methyl-5-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one
CID 136761202
2-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
CID 136761322
1-methyl-5-[(2S)-2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one
CID 136850924

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4a-methyl-2-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]benzimidazole-8-carboxamide?
The IUPAC name of 6-fluoro-4a-methyl-2-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]benzimidazole-8-carboxamide (CID 163430671) is 6-fluoro-4a-methyl-2-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]benzimidazole-8-carboxamide.
What is the SMILES notation for 6-fluoro-4a-methyl-2-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]benzimidazole-8-carboxamide?
The canonical SMILES for 6-fluoro-4a-methyl-2-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]benzimidazole-8-carboxamide is CC12CC(F)=CC(C(N)=O)=C1n1nc(C3CCNCC3)cc1N2.
What is the InChIKey of 6-fluoro-4a-methyl-2-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]benzimidazole-8-carboxamide?
The InChIKey is AQFGEODNTDILFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c1-16-8-10(17)6-11(15(18)23)14(16)22-13(20-16)7-12(21-22)9-2-4-19-5-3-9/h6-7,9,19-20H,2-5,8H2,1H3,(H2,18,23).
What are the key properties of 6-fluoro-4a-methyl-2-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]benzimidazole-8-carboxamide?
6-fluoro-4a-methyl-2-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]benzimidazole-8-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4a-methyl-2-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 163430671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).