N-[5-[1-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C23H27N9O3 — CID 171705721

IUPACN-[5-[1-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C1NCCn2nc(C(=O)N3CCCCC3c3cc(NC(=O)C4CCc5nc[nH]c5C4)n[nH]3)cc21
InChIInChI=1S/C23H27N9O3/c33-21(13-4-5-14-15(9-13)26-12-25-14)27-20-11-16(28-29-20)18-3-1-2-7-31(18)23(35)17-10-19-22(34)24-6-8-32(19)30-17/h10-13,18H,1-9H2,(H,24,34)(H,25,26)(H2,27,28,29,33)
InChIKeyAAJFXYABEYLXAB-UHFFFAOYSA-N
MW477.53 g/mol
LogP1.18
Rot. Bonds4

About N-[5-[1-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-[5-[1-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 171705721) has the molecular formula C23H27N9O3 and a molecular weight of 477.53 g/mol. Its IUPAC name is N-[5-[1-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[1-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID171705721
Molecular FormulaC23H27N9O3
Molecular Weight477.53 g/mol
Exact Mass477.22
IUPAC NameN-[5-[1-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C1NCCn2nc(C(=O)N3CCCCC3c3cc(NC(=O)C4CCc5nc[nH]c5C4)n[nH]3)cc21
InChIInChI=1S/C23H27N9O3/c33-21(13-4-5-14-15(9-13)26-12-25-14)27-20-11-16(28-29-20)18-3-1-2-7-31(18)23(35)17-10-19-22(34)24-6-8-32(19)30-17/h10-13,18H,1-9H2,(H,24,34)(H,25,26)(H2,27,28,29,33)
InChIKeyAAJFXYABEYLXAB-UHFFFAOYSA-N
XLogP1.18
TPSA153.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[5-[1-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide
CID 171706114
(5S)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661556
N-(4-hydroxycyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 121167007
methyl 1-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)piperidine-2-carboxylate
CID 90640212
N-quinolin-6-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640170
N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide
CID 171706065
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90639917
(5S)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100660418
(5R)-N-(2-acetamidoethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662860
(5S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 10683521
N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 138035232
N-[4-(diethylamino)-2-methylphenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640111

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[5-[1-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 171705721) is N-[5-[1-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[5-[1-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[5-[1-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is O=C1NCCn2nc(C(=O)N3CCCCC3c3cc(NC(=O)C4CCc5nc[nH]c5C4)n[nH]3)cc21.
What is the InChIKey of N-[5-[1-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is AAJFXYABEYLXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9O3/c33-21(13-4-5-14-15(9-13)26-12-25-14)27-20-11-16(28-29-20)18-3-1-2-7-31(18)23(35)17-10-19-22(34)24-6-8-32(19)30-17/h10-13,18H,1-9H2,(H,24,34)(H,25,26)(H2,27,28,29,33).
What are the key properties of N-[5-[1-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-[5-[1-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 477.53 g/mol, XLogP of 1.18, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 171705721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).