(2R)-4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide

C27H32FN5O2 — CID 90282927

IUPAC(2R)-4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide
SMILESC[C@@H]1CN(c2nc(C3CCCCC3)c3c(c2C#N)CCOC3)CCN1C(=O)Nc1ccccc1F
InChIInChI=1S/C27H32FN5O2/c1-18-16-32(12-13-33(18)27(34)30-24-10-6-5-9-23(24)28)26-21(15-29)20-11-14-35-17-22(20)25(31-26)19-7-3-2-4-8-19/h5-6,9-10,18-19H,2-4,7-8,11-14,16-17H2,1H3,(H,30,34)/t18-/m1/s1
InChIKeyYGQCYRLCWPURIF-GOSISDBHSA-N
MW477.58 g/mol
LogP4.96
Rot. Bonds3

About (2R)-4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide

(2R)-4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide (PubChem CID 90282927) has the molecular formula C27H32FN5O2 and a molecular weight of 477.58 g/mol. Its IUPAC name is (2R)-4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide
PubChem CID90282927
Molecular FormulaC27H32FN5O2
Molecular Weight477.58 g/mol
Exact Mass477.25
IUPAC Name(2R)-4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide
SMILESC[C@@H]1CN(c2nc(C3CCCCC3)c3c(c2C#N)CCOC3)CCN1C(=O)Nc1ccccc1F
InChIInChI=1S/C27H32FN5O2/c1-18-16-32(12-13-33(18)27(34)30-24-10-6-5-9-23(24)28)26-21(15-29)20-11-14-35-17-22(20)25(31-26)19-7-3-2-4-8-19/h5-6,9-10,18-19H,2-4,7-8,11-14,16-17H2,1H3,(H,30,34)/t18-/m1/s1
InChIKeyYGQCYRLCWPURIF-GOSISDBHSA-N
XLogP4.96
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of (2R)-4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide (CID 90282927) is (2R)-4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for (2R)-4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for (2R)-4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide is C[C@@H]1CN(c2nc(C3CCCCC3)c3c(c2C#N)CCOC3)CCN1C(=O)Nc1ccccc1F.
What is the InChIKey of (2R)-4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide?
The InChIKey is YGQCYRLCWPURIF-GOSISDBHSA-N. The full InChI is InChI=1S/C27H32FN5O2/c1-18-16-32(12-13-33(18)27(34)30-24-10-6-5-9-23(24)28)26-21(15-29)20-11-14-35-17-22(20)25(31-26)19-7-3-2-4-8-19/h5-6,9-10,18-19H,2-4,7-8,11-14,16-17H2,1H3,(H,30,34)/t18-/m1/s1.
What are the key properties of (2R)-4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide?
(2R)-4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide has a molecular weight of 477.58 g/mol, XLogP of 4.96, 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-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 90282927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).