(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

C23H33N5O2 — CID 129166703

IUPAC(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
SMILESCNC(=O)N1CCN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)C[C@H]1C(C)C
InChIInChI=1S/C23H33N5O2/c1-14(2)19-12-27(8-9-28(19)22(29)25-5)21-17(11-24)16-10-23(3,4)30-13-18(16)20(26-21)15-6-7-15/h14-15,19H,6-10,12-13H2,1-5H3,(H,25,29)/t19-/m0/s1
InChIKeyIZDTXKLGWULNQV-IBGZPJMESA-N
MW411.55 g/mol
LogP3.17
Rot. Bonds3

About (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

(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 (PubChem CID 129166703) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID129166703
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Name(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
SMILESCNC(=O)N1CCN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)C[C@H]1C(C)C
InChIInChI=1S/C23H33N5O2/c1-14(2)19-12-27(8-9-28(19)22(29)25-5)21-17(11-24)16-10-23(3,4)30-13-18(16)20(26-21)15-6-7-15/h14-15,19H,6-10,12-13H2,1-5H3,(H,25,29)/t19-/m0/s1
InChIKeyIZDTXKLGWULNQV-IBGZPJMESA-N
XLogP3.17
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CNC(=O)N1CCN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)C[C@H]1C(C)C.
What is the InChIKey of (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?
The InChIKey is IZDTXKLGWULNQV-IBGZPJMESA-N. The full InChI is InChI=1S/C23H33N5O2/c1-14(2)19-12-27(8-9-28(19)22(29)25-5)21-17(11-24)16-10-23(3,4)30-13-18(16)20(26-21)15-6-7-15/h14-15,19H,6-10,12-13H2,1-5H3,(H,25,29)/t19-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 411.55 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 129166703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).