5-[4-[(6S)-6-[(4-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]piperidin-1-yl]-4H-pyrazol-3-amine

C22H29N7 — CID 158494273

IUPAC5-[4-[(6S)-6-[(4-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]piperidin-1-yl]-4H-pyrazol-3-amine
SMILESCc1ccc(C[C@H]2Cn3cncc3CN2C2CCN(C3=NN=C(N)C3)CC2)cc1
InChIInChI=1S/C22H29N7/c1-16-2-4-17(5-3-16)10-19-13-28-15-24-12-20(28)14-29(19)18-6-8-27(9-7-18)22-11-21(23)25-26-22/h2-5,12,15,18-19H,6-11,13-14H2,1H3,(H2,23,25)/t19-/m0/s1
InChIKeyODCIGOOIJBWGAE-IBGZPJMESA-N
MW391.52 g/mol
LogP2.16
Rot. Bonds3

About 5-[4-[(6S)-6-[(4-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]piperidin-1-yl]-4H-pyrazol-3-amine

5-[4-[(6S)-6-[(4-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]piperidin-1-yl]-4H-pyrazol-3-amine (PubChem CID 158494273) has the molecular formula C22H29N7 and a molecular weight of 391.52 g/mol. Its IUPAC name is 5-[4-[(6S)-6-[(4-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]piperidin-1-yl]-4H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[4-[(6S)-6-[(4-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]piperidin-1-yl]-4H-pyrazol-3-amine
PubChem CID158494273
Molecular FormulaC22H29N7
Molecular Weight391.52 g/mol
Exact Mass391.25
IUPAC Name5-[4-[(6S)-6-[(4-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]piperidin-1-yl]-4H-pyrazol-3-amine
SMILESCc1ccc(C[C@H]2Cn3cncc3CN2C2CCN(C3=NN=C(N)C3)CC2)cc1
InChIInChI=1S/C22H29N7/c1-16-2-4-17(5-3-16)10-19-13-28-15-24-12-20(28)14-29(19)18-6-8-27(9-7-18)22-11-21(23)25-26-22/h2-5,12,15,18-19H,6-11,13-14H2,1H3,(H2,23,25)/t19-/m0/s1
InChIKeyODCIGOOIJBWGAE-IBGZPJMESA-N
XLogP2.16
TPSA75.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-[(6S)-6-[(4-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]piperidin-1-yl]-4H-pyrazol-3-amine with MolForge

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Related Compounds

acetic acid;5-[4-[(3S,8aS)-7,7-difluoro-3-[(4-methylphenyl)methyl]-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-4H-pyrazol-3-amine;[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methanol;5-[4-[(2R,5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2S,5S)-5-[(4-bromophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(6S)-6-[(4-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 159147830
5-[4-[2-[(4-chlorophenyl)methyl]-4-methyl-1,4-diazepan-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 157061141
5-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 157057863
5-[4-[(2R,5R)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 159429680
1-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-6-[(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 161182588
1-[(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-1-one
CID 148552003
5-[4-[3-[(4-chlorophenyl)methyl]-3,5-dihydro-2H-pyrido[4,3-f][1,4]oxazepin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[7,9-dichloro-3-[(4-chlorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 160857640
acetic acid;[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]-(3-methylazetidin-1-yl)methanone
CID 158666507
[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]-(3-fluoroazetidin-1-yl)methanone
CID 158284480
5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1H-pyrazol-5-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 157284026
acetic acid;1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]-4,4-difluorobutan-1-one
CID 158383470
acetic acid;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxymethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 161242519

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(6S)-6-[(4-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]piperidin-1-yl]-4H-pyrazol-3-amine?
The IUPAC name of 5-[4-[(6S)-6-[(4-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]piperidin-1-yl]-4H-pyrazol-3-amine (CID 158494273) is 5-[4-[(6S)-6-[(4-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]piperidin-1-yl]-4H-pyrazol-3-amine.
What is the SMILES notation for 5-[4-[(6S)-6-[(4-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]piperidin-1-yl]-4H-pyrazol-3-amine?
The canonical SMILES for 5-[4-[(6S)-6-[(4-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]piperidin-1-yl]-4H-pyrazol-3-amine is Cc1ccc(C[C@H]2Cn3cncc3CN2C2CCN(C3=NN=C(N)C3)CC2)cc1.
What is the InChIKey of 5-[4-[(6S)-6-[(4-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]piperidin-1-yl]-4H-pyrazol-3-amine?
The InChIKey is ODCIGOOIJBWGAE-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N7/c1-16-2-4-17(5-3-16)10-19-13-28-15-24-12-20(28)14-29(19)18-6-8-27(9-7-18)22-11-21(23)25-26-22/h2-5,12,15,18-19H,6-11,13-14H2,1H3,(H2,23,25)/t19-/m0/s1.
What are the key properties of 5-[4-[(6S)-6-[(4-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]piperidin-1-yl]-4H-pyrazol-3-amine?
5-[4-[(6S)-6-[(4-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]piperidin-1-yl]-4H-pyrazol-3-amine has a molecular weight of 391.52 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(6S)-6-[(4-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]piperidin-1-yl]-4H-pyrazol-3-amine is sourced from PubChem (CID 158494273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).