4-piperazin-1-yl-2-pyridin-4-yl-1,7-naphthyridine

C17H17N5 — CID 135368670

IUPAC4-piperazin-1-yl-2-pyridin-4-yl-1,7-naphthyridine
SMILESc1cc(-c2cc(N3CCNCC3)c3ccncc3n2)ccn1
InChIInChI=1S/C17H17N5/c1-4-18-5-2-13(1)15-11-17(22-9-7-19-8-10-22)14-3-6-20-12-16(14)21-15/h1-6,11-12,19H,7-10H2
InChIKeyDSWNCVPYYGBBBI-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.10
Rot. Bonds2

About 4-piperazin-1-yl-2-pyridin-4-yl-1,7-naphthyridine

4-piperazin-1-yl-2-pyridin-4-yl-1,7-naphthyridine (PubChem CID 135368670) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-piperazin-1-yl-2-pyridin-4-yl-1,7-naphthyridine.

Molecular Properties

Compound Name4-piperazin-1-yl-2-pyridin-4-yl-1,7-naphthyridine
PubChem CID135368670
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name4-piperazin-1-yl-2-pyridin-4-yl-1,7-naphthyridine
SMILESc1cc(-c2cc(N3CCNCC3)c3ccncc3n2)ccn1
InChIInChI=1S/C17H17N5/c1-4-18-5-2-13(1)15-11-17(22-9-7-19-8-10-22)14-3-6-20-12-16(14)21-15/h1-6,11-12,19H,7-10H2
InChIKeyDSWNCVPYYGBBBI-UHFFFAOYSA-N
XLogP2.10
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-2-pyridin-4-yl-1,7-naphthyridine?
The IUPAC name of 4-piperazin-1-yl-2-pyridin-4-yl-1,7-naphthyridine (CID 135368670) is 4-piperazin-1-yl-2-pyridin-4-yl-1,7-naphthyridine.
What is the SMILES notation for 4-piperazin-1-yl-2-pyridin-4-yl-1,7-naphthyridine?
The canonical SMILES for 4-piperazin-1-yl-2-pyridin-4-yl-1,7-naphthyridine is c1cc(-c2cc(N3CCNCC3)c3ccncc3n2)ccn1.
What is the InChIKey of 4-piperazin-1-yl-2-pyridin-4-yl-1,7-naphthyridine?
The InChIKey is DSWNCVPYYGBBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-4-18-5-2-13(1)15-11-17(22-9-7-19-8-10-22)14-3-6-20-12-16(14)21-15/h1-6,11-12,19H,7-10H2.
What are the key properties of 4-piperazin-1-yl-2-pyridin-4-yl-1,7-naphthyridine?
4-piperazin-1-yl-2-pyridin-4-yl-1,7-naphthyridine has a molecular weight of 291.36 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-2-pyridin-4-yl-1,7-naphthyridine is sourced from PubChem (CID 135368670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).