3-[(3R)-3-(cyclopropen-1-yl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1-cyclopropyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile

C22H24F3N5O — CID 130272521

IUPAC3-[(3R)-3-(cyclopropen-1-yl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1-cyclopropyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
SMILESN#Cc1c(N2CCN(C(=O)CC(F)(F)F)[C@H](C3=CC3)C2)nc(C2CC2)c2c1CCNC2
InChIInChI=1S/C22H24F3N5O/c23-22(24,25)9-19(31)30-8-7-29(12-18(30)13-1-2-13)21-16(10-26)15-5-6-27-11-17(15)20(28-21)14-3-4-14/h1,14,18,27H,2-9,11-12H2/t18-/m0/s1
InChIKeyVTTZLBQWDPXUDV-SFHVURJKSA-N
MW431.46 g/mol
LogP2.78
Rot. Bonds4

About 3-[(3R)-3-(cyclopropen-1-yl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1-cyclopropyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile

3-[(3R)-3-(cyclopropen-1-yl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1-cyclopropyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile (PubChem CID 130272521) has the molecular formula C22H24F3N5O and a molecular weight of 431.46 g/mol. Its IUPAC name is 3-[(3R)-3-(cyclopropen-1-yl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1-cyclopropyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[(3R)-3-(cyclopropen-1-yl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1-cyclopropyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
PubChem CID130272521
Molecular FormulaC22H24F3N5O
Molecular Weight431.46 g/mol
Exact Mass431.19
IUPAC Name3-[(3R)-3-(cyclopropen-1-yl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1-cyclopropyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
SMILESN#Cc1c(N2CCN(C(=O)CC(F)(F)F)[C@H](C3=CC3)C2)nc(C2CC2)c2c1CCNC2
InChIInChI=1S/C22H24F3N5O/c23-22(24,25)9-19(31)30-8-7-29(12-18(30)13-1-2-13)21-16(10-26)15-5-6-27-11-17(15)20(28-21)14-3-4-14/h1,14,18,27H,2-9,11-12H2/t18-/m0/s1
InChIKeyVTTZLBQWDPXUDV-SFHVURJKSA-N
XLogP2.78
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(3R)-3-(cyclopropen-1-yl)-4-(3-methoxypropanoyl)piperazin-1-yl]-1-cyclopropyl-7-(2-hydroxyethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 130273154
6-cyclopropyl-2-[3-cyclopropyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-5-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carbonitrile
CID 123482121
6-cyclopropyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-[3-methyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 71118911
7-acetyl-1-cyclopropyl-3-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 71118713
5-(1,3-benzothiazol-6-yl)-6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 71118937
6-cyclopropyl-2-[3-cyclopropyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-5-(quinolin-4-ylamino)pyridine-3-carbonitrile
CID 71118589
4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-ethyl-2-methylpiperazine-1-carboxamide
CID 71119202
(2R)-4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-ethyl-2-methylpiperazine-1-carboxamide
CID 71119197
6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-5-(3-methylisoquinolin-5-yl)pyridine-3-carbonitrile
CID 71137186
1-cyclopropyl-3-[3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-7-prop-2-enoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 89288159
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 71140831
8-cyclopropyl-6-[4-[2-(2-fluorophenyl)acetyl]-3-propan-2-ylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 129169228

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(cyclopropen-1-yl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1-cyclopropyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 3-[(3R)-3-(cyclopropen-1-yl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1-cyclopropyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile (CID 130272521) is 3-[(3R)-3-(cyclopropen-1-yl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1-cyclopropyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 3-[(3R)-3-(cyclopropen-1-yl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1-cyclopropyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 3-[(3R)-3-(cyclopropen-1-yl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1-cyclopropyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile is N#Cc1c(N2CCN(C(=O)CC(F)(F)F)[C@H](C3=CC3)C2)nc(C2CC2)c2c1CCNC2.
What is the InChIKey of 3-[(3R)-3-(cyclopropen-1-yl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1-cyclopropyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile?
The InChIKey is VTTZLBQWDPXUDV-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24F3N5O/c23-22(24,25)9-19(31)30-8-7-29(12-18(30)13-1-2-13)21-16(10-26)15-5-6-27-11-17(15)20(28-21)14-3-4-14/h1,14,18,27H,2-9,11-12H2/t18-/m0/s1.
What are the key properties of 3-[(3R)-3-(cyclopropen-1-yl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1-cyclopropyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile?
3-[(3R)-3-(cyclopropen-1-yl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1-cyclopropyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile has a molecular weight of 431.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(cyclopropen-1-yl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1-cyclopropyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 130272521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).