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

C21H22N6O — CID 122180560

IUPAC5-(1H-indazol-4-yl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
SMILESCc1cc2c(-c3cccc4[nH]ncc34)cnc(NC3CCNCC3)c2[nH]c1=O
InChIInChI=1S/C21H22N6O/c1-12-9-15-16(14-3-2-4-18-17(14)11-24-27-18)10-23-20(19(15)26-21(12)28)25-13-5-7-22-8-6-13/h2-4,9-11,13,22H,5-8H2,1H3,(H,23,25)(H,24,27)(H,26,28)
InChIKeyYHKSBZORCLMJLH-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.94
Rot. Bonds3

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

5-(1H-indazol-4-yl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one (PubChem CID 122180560) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 5-(1H-indazol-4-yl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name5-(1H-indazol-4-yl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
PubChem CID122180560
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name5-(1H-indazol-4-yl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
SMILESCc1cc2c(-c3cccc4[nH]ncc34)cnc(NC3CCNCC3)c2[nH]c1=O
InChIInChI=1S/C21H22N6O/c1-12-9-15-16(14-3-2-4-18-17(14)11-24-27-18)10-23-20(19(15)26-21(12)28)25-13-5-7-22-8-6-13/h2-4,9-11,13,22H,5-8H2,1H3,(H,23,25)(H,24,27)(H,26,28)
InChIKeyYHKSBZORCLMJLH-UHFFFAOYSA-N
XLogP2.94
TPSA98.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-4-yl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
The IUPAC name of 5-(1H-indazol-4-yl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one (CID 122180560) is 5-(1H-indazol-4-yl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 5-(1H-indazol-4-yl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 5-(1H-indazol-4-yl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one is Cc1cc2c(-c3cccc4[nH]ncc34)cnc(NC3CCNCC3)c2[nH]c1=O.
What is the InChIKey of 5-(1H-indazol-4-yl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
The InChIKey is YHKSBZORCLMJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-12-9-15-16(14-3-2-4-18-17(14)11-24-27-18)10-23-20(19(15)26-21(12)28)25-13-5-7-22-8-6-13/h2-4,9-11,13,22H,5-8H2,1H3,(H,23,25)(H,24,27)(H,26,28).
What are the key properties of 5-(1H-indazol-4-yl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
5-(1H-indazol-4-yl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one has a molecular weight of 374.45 g/mol, XLogP of 2.94, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-4-yl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 122180560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).