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

C23H26FN5O2 — CID 71119328

IUPAC4-(5-cyano-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCC(C)c1nc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c(C#N)c2c1COCC2
InChIInChI=1S/C23H26FN5O2/c1-15(2)21-20-14-31-12-7-18(20)19(13-25)22(27-21)28-8-10-29(11-9-28)23(30)26-17-5-3-16(24)4-6-17/h3-6,15H,7-12,14H2,1-2H3,(H,26,30)
InChIKeyQZKQORCOXMSPCX-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.64
Rot. Bonds3

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

4-(5-cyano-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 71119328) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 4-(5-cyano-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-cyano-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID71119328
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name4-(5-cyano-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCC(C)c1nc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c(C#N)c2c1COCC2
InChIInChI=1S/C23H26FN5O2/c1-15(2)21-20-14-31-12-7-18(20)19(13-25)22(27-21)28-8-10-29(11-9-28)23(30)26-17-5-3-16(24)4-6-17/h3-6,15H,7-12,14H2,1-2H3,(H,26,30)
InChIKeyQZKQORCOXMSPCX-UHFFFAOYSA-N
XLogP3.64
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-cyano-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide (CID 71119328) is 4-(5-cyano-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-cyano-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-cyano-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide is CC(C)c1nc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c(C#N)c2c1COCC2.
What is the InChIKey of 4-(5-cyano-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is QZKQORCOXMSPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-15(2)21-20-14-31-12-7-18(20)19(13-25)22(27-21)28-8-10-29(11-9-28)23(30)26-17-5-3-16(24)4-6-17/h3-6,15H,7-12,14H2,1-2H3,(H,26,30).
What are the key properties of 4-(5-cyano-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
4-(5-cyano-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 71119328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).