6-[4-(cyclopropanecarbonyl)-3-(difluoromethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C23H28F2N4O2 — CID 71119065

IUPAC6-[4-(cyclopropanecarbonyl)-3-(difluoromethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(N3CCN(C(=O)C4CC4)C(C(F)F)C3)nc(C3CC3)c2CO1
InChIInChI=1S/C23H28F2N4O2/c1-23(2)9-15-16(10-26)21(27-19(13-3-4-13)17(15)12-31-23)28-7-8-29(18(11-28)20(24)25)22(30)14-5-6-14/h13-14,18,20H,3-9,11-12H2,1-2H3
InChIKeyJIBRCGCWUFMAQU-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.37
Rot. Bonds4

About 6-[4-(cyclopropanecarbonyl)-3-(difluoromethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

6-[4-(cyclopropanecarbonyl)-3-(difluoromethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 71119065) has the molecular formula C23H28F2N4O2 and a molecular weight of 430.50 g/mol. Its IUPAC name is 6-[4-(cyclopropanecarbonyl)-3-(difluoromethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-[4-(cyclopropanecarbonyl)-3-(difluoromethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID71119065
Molecular FormulaC23H28F2N4O2
Molecular Weight430.50 g/mol
Exact Mass430.22
IUPAC Name6-[4-(cyclopropanecarbonyl)-3-(difluoromethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(N3CCN(C(=O)C4CC4)C(C(F)F)C3)nc(C3CC3)c2CO1
InChIInChI=1S/C23H28F2N4O2/c1-23(2)9-15-16(10-26)21(27-19(13-3-4-13)17(15)12-31-23)28-7-8-29(18(11-28)20(24)25)22(30)14-5-6-14/h13-14,18,20H,3-9,11-12H2,1-2H3
InChIKeyJIBRCGCWUFMAQU-UHFFFAOYSA-N
XLogP3.37
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(cyclopropanecarbonyl)-3-(difluoromethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-[4-(cyclopropanecarbonyl)-3-(difluoromethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 71119065) is 6-[4-(cyclopropanecarbonyl)-3-(difluoromethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-[4-(cyclopropanecarbonyl)-3-(difluoromethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-[4-(cyclopropanecarbonyl)-3-(difluoromethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC1(C)Cc2c(C#N)c(N3CCN(C(=O)C4CC4)C(C(F)F)C3)nc(C3CC3)c2CO1.
What is the InChIKey of 6-[4-(cyclopropanecarbonyl)-3-(difluoromethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is JIBRCGCWUFMAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N4O2/c1-23(2)9-15-16(10-26)21(27-19(13-3-4-13)17(15)12-31-23)28-7-8-29(18(11-28)20(24)25)22(30)14-5-6-14/h13-14,18,20H,3-9,11-12H2,1-2H3.
What are the key properties of 6-[4-(cyclopropanecarbonyl)-3-(difluoromethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
6-[4-(cyclopropanecarbonyl)-3-(difluoromethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 430.50 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(cyclopropanecarbonyl)-3-(difluoromethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 71119065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).