3-chloro-1-[(1-cyanocyclopropyl)amino]-7-[[2-methyl-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C23H23ClN6O2 — CID 166474887

IUPAC3-chloro-1-[(1-cyanocyclopropyl)amino]-7-[[2-methyl-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCc1nc(OC2COC2)ccc1CN1CCc2c(C#N)c(Cl)nc(NC3(C#N)CC3)c2C1
InChIInChI=1S/C23H23ClN6O2/c1-14-15(2-3-20(27-14)32-16-11-31-12-16)9-30-7-4-17-18(8-25)21(24)28-22(19(17)10-30)29-23(13-26)5-6-23/h2-3,16H,4-7,9-12H2,1H3,(H,28,29)
InChIKeyJWZLHNRTWKIWLU-UHFFFAOYSA-N
MW450.93 g/mol
LogP3.11
Rot. Bonds6

About 3-chloro-1-[(1-cyanocyclopropyl)amino]-7-[[2-methyl-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

3-chloro-1-[(1-cyanocyclopropyl)amino]-7-[[2-methyl-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 166474887) has the molecular formula C23H23ClN6O2 and a molecular weight of 450.93 g/mol. Its IUPAC name is 3-chloro-1-[(1-cyanocyclopropyl)amino]-7-[[2-methyl-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-1-[(1-cyanocyclopropyl)amino]-7-[[2-methyl-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID166474887
Molecular FormulaC23H23ClN6O2
Molecular Weight450.93 g/mol
Exact Mass450.16
IUPAC Name3-chloro-1-[(1-cyanocyclopropyl)amino]-7-[[2-methyl-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCc1nc(OC2COC2)ccc1CN1CCc2c(C#N)c(Cl)nc(NC3(C#N)CC3)c2C1
InChIInChI=1S/C23H23ClN6O2/c1-14-15(2-3-20(27-14)32-16-11-31-12-16)9-30-7-4-17-18(8-25)21(24)28-22(19(17)10-30)29-23(13-26)5-6-23/h2-3,16H,4-7,9-12H2,1H3,(H,28,29)
InChIKeyJWZLHNRTWKIWLU-UHFFFAOYSA-N
XLogP3.11
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-chloro-1-[(1-cyanocyclopropyl)amino]-7-[[2-methyl-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(1-cyanocyclopropyl)amino]-7-[[2-methyl-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 3-chloro-1-[(1-cyanocyclopropyl)amino]-7-[[2-methyl-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 166474887) is 3-chloro-1-[(1-cyanocyclopropyl)amino]-7-[[2-methyl-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-1-[(1-cyanocyclopropyl)amino]-7-[[2-methyl-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-1-[(1-cyanocyclopropyl)amino]-7-[[2-methyl-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is Cc1nc(OC2COC2)ccc1CN1CCc2c(C#N)c(Cl)nc(NC3(C#N)CC3)c2C1.
What is the InChIKey of 3-chloro-1-[(1-cyanocyclopropyl)amino]-7-[[2-methyl-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is JWZLHNRTWKIWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O2/c1-14-15(2-3-20(27-14)32-16-11-31-12-16)9-30-7-4-17-18(8-25)21(24)28-22(19(17)10-30)29-23(13-26)5-6-23/h2-3,16H,4-7,9-12H2,1H3,(H,28,29).
What are the key properties of 3-chloro-1-[(1-cyanocyclopropyl)amino]-7-[[2-methyl-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
3-chloro-1-[(1-cyanocyclopropyl)amino]-7-[[2-methyl-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 450.93 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(1-cyanocyclopropyl)amino]-7-[[2-methyl-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 166474887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).