1-[2-(azetidin-3-yl)ethyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2H-1,6-naphthyridin-2-ol

C23H31N7O — CID 170013720

IUPAC1-[2-(azetidin-3-yl)ethyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2H-1,6-naphthyridin-2-ol
SMILESCN1CCN(c2ccc(Nc3cc4c(cn3)C=CC(O)N4CCC3CNC3)nc2)CC1
InChIInChI=1S/C23H31N7O/c1-28-8-10-29(11-9-28)19-3-4-21(26-16-19)27-22-12-20-18(15-25-22)2-5-23(31)30(20)7-6-17-13-24-14-17/h2-5,12,15-17,23-24,31H,6-11,13-14H2,1H3,(H,25,26,27)
InChIKeyURPIZOZTZNSINP-UHFFFAOYSA-N
MW421.55 g/mol
LogP1.73
Rot. Bonds6

About 1-[2-(azetidin-3-yl)ethyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2H-1,6-naphthyridin-2-ol

1-[2-(azetidin-3-yl)ethyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2H-1,6-naphthyridin-2-ol (PubChem CID 170013720) has the molecular formula C23H31N7O and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)ethyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2H-1,6-naphthyridin-2-ol.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)ethyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2H-1,6-naphthyridin-2-ol
PubChem CID170013720
Molecular FormulaC23H31N7O
Molecular Weight421.55 g/mol
Exact Mass421.26
IUPAC Name1-[2-(azetidin-3-yl)ethyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2H-1,6-naphthyridin-2-ol
SMILESCN1CCN(c2ccc(Nc3cc4c(cn3)C=CC(O)N4CCC3CNC3)nc2)CC1
InChIInChI=1S/C23H31N7O/c1-28-8-10-29(11-9-28)19-3-4-21(26-16-19)27-22-12-20-18(15-25-22)2-5-23(31)30(20)7-6-17-13-24-14-17/h2-5,12,15-17,23-24,31H,6-11,13-14H2,1H3,(H,25,26,27)
InChIKeyURPIZOZTZNSINP-UHFFFAOYSA-N
XLogP1.73
TPSA79.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2H-1,6-naphthyridin-2-ol?
The IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2H-1,6-naphthyridin-2-ol (CID 170013720) is 1-[2-(azetidin-3-yl)ethyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2H-1,6-naphthyridin-2-ol.
What is the SMILES notation for 1-[2-(azetidin-3-yl)ethyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2H-1,6-naphthyridin-2-ol?
The canonical SMILES for 1-[2-(azetidin-3-yl)ethyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2H-1,6-naphthyridin-2-ol is CN1CCN(c2ccc(Nc3cc4c(cn3)C=CC(O)N4CCC3CNC3)nc2)CC1.
What is the InChIKey of 1-[2-(azetidin-3-yl)ethyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2H-1,6-naphthyridin-2-ol?
The InChIKey is URPIZOZTZNSINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O/c1-28-8-10-29(11-9-28)19-3-4-21(26-16-19)27-22-12-20-18(15-25-22)2-5-23(31)30(20)7-6-17-13-24-14-17/h2-5,12,15-17,23-24,31H,6-11,13-14H2,1H3,(H,25,26,27).
What are the key properties of 1-[2-(azetidin-3-yl)ethyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2H-1,6-naphthyridin-2-ol?
1-[2-(azetidin-3-yl)ethyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2H-1,6-naphthyridin-2-ol has a molecular weight of 421.55 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)ethyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2H-1,6-naphthyridin-2-ol is sourced from PubChem (CID 170013720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).