8-cyclopentyl-6-[(3S,5R)-4-(furan-3-carbonyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C27H34N4O3 — CID 90282629

IUPAC8-cyclopentyl-6-[(3S,5R)-4-(furan-3-carbonyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESC[C@@H]1CN(c2nc(C3CCCC3)c3c(c2C#N)CC(C)(C)OC3)C[C@H](C)N1C(=O)c1ccoc1
InChIInChI=1S/C27H34N4O3/c1-17-13-30(14-18(2)31(17)26(32)20-9-10-33-15-20)25-22(12-28)21-11-27(3,4)34-16-23(21)24(29-25)19-7-5-6-8-19/h9-10,15,17-19H,5-8,11,13-14,16H2,1-4H3/t17-,18+
InChIKeyVMPTXHHJJULQBX-HDICACEKSA-N
MW462.59 g/mol
LogP4.79
Rot. Bonds3

About 8-cyclopentyl-6-[(3S,5R)-4-(furan-3-carbonyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

8-cyclopentyl-6-[(3S,5R)-4-(furan-3-carbonyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 90282629) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 8-cyclopentyl-6-[(3S,5R)-4-(furan-3-carbonyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-cyclopentyl-6-[(3S,5R)-4-(furan-3-carbonyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID90282629
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name8-cyclopentyl-6-[(3S,5R)-4-(furan-3-carbonyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESC[C@@H]1CN(c2nc(C3CCCC3)c3c(c2C#N)CC(C)(C)OC3)C[C@H](C)N1C(=O)c1ccoc1
InChIInChI=1S/C27H34N4O3/c1-17-13-30(14-18(2)31(17)26(32)20-9-10-33-15-20)25-22(12-28)21-11-27(3,4)34-16-23(21)24(29-25)19-7-5-6-8-19/h9-10,15,17-19H,5-8,11,13-14,16H2,1-4H3/t17-,18+
InChIKeyVMPTXHHJJULQBX-HDICACEKSA-N
XLogP4.79
TPSA82.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-cyclopentyl-6-[(3S,5R)-4-(furan-3-carbonyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-cyclopropyl-6-[(3R)-3-ethyl-4-(furan-3-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 90295100
8-cyclopropyl-3,3-dimethyl-6-[4-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3-propan-2-ylpiperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 129169211
(2R)-4-(5-cyano-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-N-methyl-2-propan-2-ylpiperazine-1-carboxamide
CID 129166703
6-[(3R)-4-(cyclopropanecarbonyl)-3-propan-2-ylpiperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 71137208
2-[4-(5-cyano-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-2-propan-2-ylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 71119012
6-[(3R)-4-butanoyl-3-propan-2-ylpiperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 71136884
6-[(3S)-4-butanoyl-3-propan-2-ylpiperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 138404117
8-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 71119107
8-cyclopropyl-6-[3-ethyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 90283286
(2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone
CID 128538257
8-cyclopropyl-6-[4-[2-[methoxy(methyl)amino]acetyl]-3-propan-2-ylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 129169097
4-(5-cyano-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-2-propan-2-yl-N-prop-2-ynylpiperazine-1-carboxamide
CID 130273220

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-[(3S,5R)-4-(furan-3-carbonyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-cyclopentyl-6-[(3S,5R)-4-(furan-3-carbonyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 90282629) is 8-cyclopentyl-6-[(3S,5R)-4-(furan-3-carbonyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-cyclopentyl-6-[(3S,5R)-4-(furan-3-carbonyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-cyclopentyl-6-[(3S,5R)-4-(furan-3-carbonyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is C[C@@H]1CN(c2nc(C3CCCC3)c3c(c2C#N)CC(C)(C)OC3)C[C@H](C)N1C(=O)c1ccoc1.
What is the InChIKey of 8-cyclopentyl-6-[(3S,5R)-4-(furan-3-carbonyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is VMPTXHHJJULQBX-HDICACEKSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-17-13-30(14-18(2)31(17)26(32)20-9-10-33-15-20)25-22(12-28)21-11-27(3,4)34-16-23(21)24(29-25)19-7-5-6-8-19/h9-10,15,17-19H,5-8,11,13-14,16H2,1-4H3/t17-,18+.
What are the key properties of 8-cyclopentyl-6-[(3S,5R)-4-(furan-3-carbonyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
8-cyclopentyl-6-[(3S,5R)-4-(furan-3-carbonyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 462.59 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-[(3S,5R)-4-(furan-3-carbonyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 90282629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).