1-[5-amino-6-[(3R)-4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-8-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone

C24H33N5O2 — CID 71137204

IUPAC1-[5-amino-6-[(3R)-4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-8-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
SMILESCC(=O)N1CCc2c(N)c(N3CCN(C(=O)C4CC4)[C@H](C4CC4)C3)nc(C3CC3)c2C1
InChIInChI=1S/C24H33N5O2/c1-14(30)27-9-8-18-19(12-27)22(16-4-5-16)26-23(21(18)25)28-10-11-29(24(31)17-6-7-17)20(13-28)15-2-3-15/h15-17,20H,2-13,25H2,1H3/t20-/m0/s1
InChIKeyNHJJNTKEZNPSQK-FQEVSTJZSA-N
MW423.56 g/mol
LogP2.28
Rot. Bonds4

About 1-[5-amino-6-[(3R)-4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-8-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone

1-[5-amino-6-[(3R)-4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-8-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone (PubChem CID 71137204) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 1-[5-amino-6-[(3R)-4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-8-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-amino-6-[(3R)-4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-8-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
PubChem CID71137204
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name1-[5-amino-6-[(3R)-4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-8-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
SMILESCC(=O)N1CCc2c(N)c(N3CCN(C(=O)C4CC4)[C@H](C4CC4)C3)nc(C3CC3)c2C1
InChIInChI=1S/C24H33N5O2/c1-14(30)27-9-8-18-19(12-27)22(16-4-5-16)26-23(21(18)25)28-10-11-29(24(31)17-6-7-17)20(13-28)15-2-3-15/h15-17,20H,2-13,25H2,1H3/t20-/m0/s1
InChIKeyNHJJNTKEZNPSQK-FQEVSTJZSA-N
XLogP2.28
TPSA82.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-amino-6-[(3R)-4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-8-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

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-(2-aminopyrimidin-4-yl)-2-[(3R)-4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-6-cyclopropylpyridine-3-carbonitrile
CID 86728547
2-[4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-6-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
CID 71119303
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
5-(2-amino-6-ethenylpyrimidin-4-yl)-2-[4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-6-cyclopropylpyridine-3-carbonitrile
CID 89288284
[(2R)-4-[3-amino-5-(1,3-benzoxazol-6-yl)-6-cyclopropyl-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-cyclopropylmethanone
CID 71137167
2-[4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-6-cyclopropyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carbonitrile
CID 78013534
5-(1,3-benzoxazol-6-yl)-2-[(3R)-4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-6-cyclopropylpyridine-3-carbonitrile
CID 90301662
1-[(2R)-4-[3-amino-6-cyclopropyl-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one
CID 89304692
5-(2-chloroquinolin-5-yl)-2-[4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-6-cyclopropylpyridine-3-carbonitrile
CID 89288535
(Z)-3-[2-[5-cyano-6-[4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-2-cyclopropyl-3-pyridinyl]phenyl]-N-methylprop-2-enimidoyl chloride
CID 135292284
N-[3-[5-cyano-6-[4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-2-cyclopropyl-3-pyridinyl]phenyl]ethenesulfonamide
CID 89288280

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-6-[(3R)-4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-8-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The IUPAC name of 1-[5-amino-6-[(3R)-4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-8-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone (CID 71137204) is 1-[5-amino-6-[(3R)-4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-8-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone.
What is the SMILES notation for 1-[5-amino-6-[(3R)-4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-8-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The canonical SMILES for 1-[5-amino-6-[(3R)-4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-8-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone is CC(=O)N1CCc2c(N)c(N3CCN(C(=O)C4CC4)[C@H](C4CC4)C3)nc(C3CC3)c2C1.
What is the InChIKey of 1-[5-amino-6-[(3R)-4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-8-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The InChIKey is NHJJNTKEZNPSQK-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-14(30)27-9-8-18-19(12-27)22(16-4-5-16)26-23(21(18)25)28-10-11-29(24(31)17-6-7-17)20(13-28)15-2-3-15/h15-17,20H,2-13,25H2,1H3/t20-/m0/s1.
What are the key properties of 1-[5-amino-6-[(3R)-4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-8-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
1-[5-amino-6-[(3R)-4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-8-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone has a molecular weight of 423.56 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-6-[(3R)-4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-8-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone is sourced from PubChem (CID 71137204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).