(3S)-1-(5-cyclononyl-6-phenylimidazo[1,5-a]pyrazin-8-yl)-N,N-dimethylpyrrolidin-3-amine

C27H37N5 — CID 137470109

IUPAC(3S)-1-(5-cyclononyl-6-phenylimidazo[1,5-a]pyrazin-8-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@H]1CCN(c2nc(-c3ccccc3)c(C3CCCCCCCC3)n3cncc23)C1
InChIInChI=1S/C27H37N5/c1-30(2)23-16-17-31(19-23)27-24-18-28-20-32(24)26(22-14-8-5-3-4-6-9-15-22)25(29-27)21-12-10-7-11-13-21/h7,10-13,18,20,22-23H,3-6,8-9,14-17,19H2,1-2H3/t23-/m0/s1
InChIKeySKRBEGYUBXZWCT-QHCPKHFHSA-N
MW431.63 g/mol
LogP5.75
Rot. Bonds4

About (3S)-1-(5-cyclononyl-6-phenylimidazo[1,5-a]pyrazin-8-yl)-N,N-dimethylpyrrolidin-3-amine

(3S)-1-(5-cyclononyl-6-phenylimidazo[1,5-a]pyrazin-8-yl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 137470109) has the molecular formula C27H37N5 and a molecular weight of 431.63 g/mol. Its IUPAC name is (3S)-1-(5-cyclononyl-6-phenylimidazo[1,5-a]pyrazin-8-yl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(5-cyclononyl-6-phenylimidazo[1,5-a]pyrazin-8-yl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID137470109
Molecular FormulaC27H37N5
Molecular Weight431.63 g/mol
Exact Mass431.30
IUPAC Name(3S)-1-(5-cyclononyl-6-phenylimidazo[1,5-a]pyrazin-8-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@H]1CCN(c2nc(-c3ccccc3)c(C3CCCCCCCC3)n3cncc23)C1
InChIInChI=1S/C27H37N5/c1-30(2)23-16-17-31(19-23)27-24-18-28-20-32(24)26(22-14-8-5-3-4-6-9-15-22)25(29-27)21-12-10-7-11-13-21/h7,10-13,18,20,22-23H,3-6,8-9,14-17,19H2,1-2H3/t23-/m0/s1
InChIKeySKRBEGYUBXZWCT-QHCPKHFHSA-N
XLogP5.75
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.63
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-1-(5-cyclononyl-6-phenylimidazo[1,5-a]pyrazin-8-yl)-N,N-dimethylpyrrolidin-3-amine with MolForge

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Related Compounds

2-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 63174772
2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63163885
4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(1-methylpyrrolo[2,3-b]pyridin-5-yl)imidazo[1,5-a]pyrazin-6-yl]benzonitrile
CID 118647527
2-cyclopentyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
CID 52943291
1-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpyrrolidin-3-amine
CID 25144809
1-[3-(chloromethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63164336
4-[8-[4-(dimethylamino)piperidin-1-yl]-5-[4-(methylideneamino)-3-[(Z)-prop-1-enyl]phenyl]imidazo[1,5-a]pyrazin-6-yl]benzonitrile
CID 137470110
4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)imidazo[1,5-a]pyrazin-6-yl]benzonitrile
CID 137470112
1-(3-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
CID 63174837
6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25074119
N,N-dimethyl-1-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-3-amine
CID 63164894
1-[3-(bromomethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 107083281

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-cyclononyl-6-phenylimidazo[1,5-a]pyrazin-8-yl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-(5-cyclononyl-6-phenylimidazo[1,5-a]pyrazin-8-yl)-N,N-dimethylpyrrolidin-3-amine (CID 137470109) is (3S)-1-(5-cyclononyl-6-phenylimidazo[1,5-a]pyrazin-8-yl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(5-cyclononyl-6-phenylimidazo[1,5-a]pyrazin-8-yl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(5-cyclononyl-6-phenylimidazo[1,5-a]pyrazin-8-yl)-N,N-dimethylpyrrolidin-3-amine is CN(C)[C@H]1CCN(c2nc(-c3ccccc3)c(C3CCCCCCCC3)n3cncc23)C1.
What is the InChIKey of (3S)-1-(5-cyclononyl-6-phenylimidazo[1,5-a]pyrazin-8-yl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is SKRBEGYUBXZWCT-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H37N5/c1-30(2)23-16-17-31(19-23)27-24-18-28-20-32(24)26(22-14-8-5-3-4-6-9-15-22)25(29-27)21-12-10-7-11-13-21/h7,10-13,18,20,22-23H,3-6,8-9,14-17,19H2,1-2H3/t23-/m0/s1.
What are the key properties of (3S)-1-(5-cyclononyl-6-phenylimidazo[1,5-a]pyrazin-8-yl)-N,N-dimethylpyrrolidin-3-amine?
(3S)-1-(5-cyclononyl-6-phenylimidazo[1,5-a]pyrazin-8-yl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 431.63 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-cyclononyl-6-phenylimidazo[1,5-a]pyrazin-8-yl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 137470109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).