(5-cyclohexyl-1H-pyrazol-4-yl)-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

C22H25N5O — CID 97131948

IUPAC(5-cyclohexyl-1H-pyrazol-4-yl)-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCn2cccc2[C@H]1c1cccnc1
InChIInChI=1S/C22H25N5O/c28-22(18-15-24-25-20(18)16-6-2-1-3-7-16)27-13-12-26-11-5-9-19(26)21(27)17-8-4-10-23-14-17/h4-5,8-11,14-16,21H,1-3,6-7,12-13H2,(H,24,25)/t21-/m1/s1
InChIKeyLVNQLHGCZSGFDY-OAQYLSRUSA-N
MW375.48 g/mol
LogP3.90
Rot. Bonds3

About (5-cyclohexyl-1H-pyrazol-4-yl)-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

(5-cyclohexyl-1H-pyrazol-4-yl)-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (PubChem CID 97131948) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is (5-cyclohexyl-1H-pyrazol-4-yl)-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(5-cyclohexyl-1H-pyrazol-4-yl)-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
PubChem CID97131948
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name(5-cyclohexyl-1H-pyrazol-4-yl)-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCn2cccc2[C@H]1c1cccnc1
InChIInChI=1S/C22H25N5O/c28-22(18-15-24-25-20(18)16-6-2-1-3-7-16)27-13-12-26-11-5-9-19(26)21(27)17-8-4-10-23-14-17/h4-5,8-11,14-16,21H,1-3,6-7,12-13H2,(H,24,25)/t21-/m1/s1
InChIKeyLVNQLHGCZSGFDY-OAQYLSRUSA-N
XLogP3.90
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-cyclohexyl-1H-pyrazol-4-yl)-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 74246122
N-(4-chlorophenyl)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810924
1-[2-oxo-2-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]piperidine-4-carboxamide
CID 97132181
(5-cyclohexyl-1H-pyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70759901
[1-(furan-2-ylmethyl)piperidin-4-yl]-(1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 72911144
(5-cyclohexyl-1H-pyrazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 70732469
(5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 97110192
(1R)-N-(2,6-diethylphenyl)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 7085648
N-(4-chlorophenyl)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 4251807
3-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]benzoic acid
CID 72844387
[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 93115122
N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994596

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (CID 97131948) is (5-cyclohexyl-1H-pyrazol-4-yl)-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.
What is the SMILES notation for (5-cyclohexyl-1H-pyrazol-4-yl)-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The canonical SMILES for (5-cyclohexyl-1H-pyrazol-4-yl)-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is O=C(c1cn[nH]c1C1CCCCC1)N1CCn2cccc2[C@H]1c1cccnc1.
What is the InChIKey of (5-cyclohexyl-1H-pyrazol-4-yl)-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The InChIKey is LVNQLHGCZSGFDY-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H25N5O/c28-22(18-15-24-25-20(18)16-6-2-1-3-7-16)27-13-12-26-11-5-9-19(26)21(27)17-8-4-10-23-14-17/h4-5,8-11,14-16,21H,1-3,6-7,12-13H2,(H,24,25)/t21-/m1/s1.
What are the key properties of (5-cyclohexyl-1H-pyrazol-4-yl)-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
(5-cyclohexyl-1H-pyrazol-4-yl)-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone has a molecular weight of 375.48 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1H-pyrazol-4-yl)-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 97131948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).