6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-one

C23H23N5O — CID 134588052

IUPAC6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-one
SMILESCCn1cc(-c2cnn(C)c2)c(=O)c2cc(NC3Cc4ccccc4C3)cnc21
InChIInChI=1S/C23H23N5O/c1-3-28-14-21(17-11-25-27(2)13-17)22(29)20-10-19(12-24-23(20)28)26-18-8-15-6-4-5-7-16(15)9-18/h4-7,10-14,18,26H,3,8-9H2,1-2H3
InChIKeyMKGQJKNGHULSIG-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.40
Rot. Bonds4

About 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-one

6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-one (PubChem CID 134588052) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-one
PubChem CID134588052
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-one
SMILESCCn1cc(-c2cnn(C)c2)c(=O)c2cc(NC3Cc4ccccc4C3)cnc21
InChIInChI=1S/C23H23N5O/c1-3-28-14-21(17-11-25-27(2)13-17)22(29)20-10-19(12-24-23(20)28)26-18-8-15-6-4-5-7-16(15)9-18/h4-7,10-14,18,26H,3,8-9H2,1-2H3
InChIKeyMKGQJKNGHULSIG-UHFFFAOYSA-N
XLogP3.40
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-one (CID 134588052) is 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-one is CCn1cc(-c2cnn(C)c2)c(=O)c2cc(NC3Cc4ccccc4C3)cnc21.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-one?
The InChIKey is MKGQJKNGHULSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-3-28-14-21(17-11-25-27(2)13-17)22(29)20-10-19(12-24-23(20)28)26-18-8-15-6-4-5-7-16(15)9-18/h4-7,10-14,18,26H,3,8-9H2,1-2H3.
What are the key properties of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-one?
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-one has a molecular weight of 385.47 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(1-methylpyrazol-4-yl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 134588052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).