3-methyl-8-(piperidin-4-ylamino)-5-(1H-pyrazol-5-yl)-1H-1,7-naphthyridin-2-one

C17H20N6O — CID 122179607

IUPAC3-methyl-8-(piperidin-4-ylamino)-5-(1H-pyrazol-5-yl)-1H-1,7-naphthyridin-2-one
SMILESCc1cc2c(-c3ccn[nH]3)cnc(NC3CCNCC3)c2[nH]c1=O
InChIInChI=1S/C17H20N6O/c1-10-8-12-13(14-4-7-20-23-14)9-19-16(15(12)22-17(10)24)21-11-2-5-18-6-3-11/h4,7-9,11,18H,2-3,5-6H2,1H3,(H,19,21)(H,20,23)(H,22,24)
InChIKeyZMBHYPAVWVJEKY-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.79
Rot. Bonds3

About 3-methyl-8-(piperidin-4-ylamino)-5-(1H-pyrazol-5-yl)-1H-1,7-naphthyridin-2-one

3-methyl-8-(piperidin-4-ylamino)-5-(1H-pyrazol-5-yl)-1H-1,7-naphthyridin-2-one (PubChem CID 122179607) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 3-methyl-8-(piperidin-4-ylamino)-5-(1H-pyrazol-5-yl)-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name3-methyl-8-(piperidin-4-ylamino)-5-(1H-pyrazol-5-yl)-1H-1,7-naphthyridin-2-one
PubChem CID122179607
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name3-methyl-8-(piperidin-4-ylamino)-5-(1H-pyrazol-5-yl)-1H-1,7-naphthyridin-2-one
SMILESCc1cc2c(-c3ccn[nH]3)cnc(NC3CCNCC3)c2[nH]c1=O
InChIInChI=1S/C17H20N6O/c1-10-8-12-13(14-4-7-20-23-14)9-19-16(15(12)22-17(10)24)21-11-2-5-18-6-3-11/h4,7-9,11,18H,2-3,5-6H2,1H3,(H,19,21)(H,20,23)(H,22,24)
InChIKeyZMBHYPAVWVJEKY-UHFFFAOYSA-N
XLogP1.79
TPSA98.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(piperidin-4-ylamino)-5-(1H-pyrazol-5-yl)-1H-1,7-naphthyridin-2-one?
The IUPAC name of 3-methyl-8-(piperidin-4-ylamino)-5-(1H-pyrazol-5-yl)-1H-1,7-naphthyridin-2-one (CID 122179607) is 3-methyl-8-(piperidin-4-ylamino)-5-(1H-pyrazol-5-yl)-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 3-methyl-8-(piperidin-4-ylamino)-5-(1H-pyrazol-5-yl)-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 3-methyl-8-(piperidin-4-ylamino)-5-(1H-pyrazol-5-yl)-1H-1,7-naphthyridin-2-one is Cc1cc2c(-c3ccn[nH]3)cnc(NC3CCNCC3)c2[nH]c1=O.
What is the InChIKey of 3-methyl-8-(piperidin-4-ylamino)-5-(1H-pyrazol-5-yl)-1H-1,7-naphthyridin-2-one?
The InChIKey is ZMBHYPAVWVJEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-10-8-12-13(14-4-7-20-23-14)9-19-16(15(12)22-17(10)24)21-11-2-5-18-6-3-11/h4,7-9,11,18H,2-3,5-6H2,1H3,(H,19,21)(H,20,23)(H,22,24).
What are the key properties of 3-methyl-8-(piperidin-4-ylamino)-5-(1H-pyrazol-5-yl)-1H-1,7-naphthyridin-2-one?
3-methyl-8-(piperidin-4-ylamino)-5-(1H-pyrazol-5-yl)-1H-1,7-naphthyridin-2-one has a molecular weight of 324.39 g/mol, XLogP of 1.79, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(piperidin-4-ylamino)-5-(1H-pyrazol-5-yl)-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 122179607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).