6-(2-aminopyrimidin-5-yl)-8-[(1-methylpyrazol-4-yl)amino]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one

C22H25N9O2 — CID 58093934

IUPAC6-(2-aminopyrimidin-5-yl)-8-[(1-methylpyrazol-4-yl)amino]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one
SMILESCn1cc(Nc2nc(-c3cnc(N)nc3)cc3ccn(CCN4CCOCC4)c(=O)c23)cn1
InChIInChI=1S/C22H25N9O2/c1-29-14-17(13-26-29)27-20-19-15(10-18(28-20)16-11-24-22(23)25-12-16)2-3-31(21(19)32)5-4-30-6-8-33-9-7-30/h2-3,10-14H,4-9H2,1H3,(H,27,28)(H2,23,24,25)
InChIKeyFNSBJYMVVOMMME-UHFFFAOYSA-N
MW447.50 g/mol
LogP1.25
Rot. Bonds6

About 6-(2-aminopyrimidin-5-yl)-8-[(1-methylpyrazol-4-yl)amino]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one

6-(2-aminopyrimidin-5-yl)-8-[(1-methylpyrazol-4-yl)amino]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one (PubChem CID 58093934) has the molecular formula C22H25N9O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-8-[(1-methylpyrazol-4-yl)amino]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-8-[(1-methylpyrazol-4-yl)amino]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one
PubChem CID58093934
Molecular FormulaC22H25N9O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC Name6-(2-aminopyrimidin-5-yl)-8-[(1-methylpyrazol-4-yl)amino]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one
SMILESCn1cc(Nc2nc(-c3cnc(N)nc3)cc3ccn(CCN4CCOCC4)c(=O)c23)cn1
InChIInChI=1S/C22H25N9O2/c1-29-14-17(13-26-29)27-20-19-15(10-18(28-20)16-11-24-22(23)25-12-16)2-3-31(21(19)32)5-4-30-6-8-33-9-7-30/h2-3,10-14H,4-9H2,1H3,(H,27,28)(H2,23,24,25)
InChIKeyFNSBJYMVVOMMME-UHFFFAOYSA-N
XLogP1.25
TPSA129.01 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.50
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-(2-aminopyrimidin-5-yl)-8-[(1-methylpyrazol-4-yl)amino]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one with MolForge

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Launch Full Analysis

Related Compounds

BI-1935
CID 57861407
Jqez5
CID 121322599
1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 51034710
6-cyclopropyl-N-{1-[2-(dimethylamino)ethyl]-3-(pyridin-2-yl)-1H-pyrazol-5-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 53328445
6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-quinolin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328817
6-cyclopropyl-N-[1-(2-methylpropyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328989
N-[1-(cyclohexylmethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329169
6-ethyl-N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329171
6-cyclopropyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329353
6-cyclopropyl-N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54761643
6-cyclopropyl-N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58368041
GSK-3|A inhibitor 13
CID 134551592

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-[(1-methylpyrazol-4-yl)amino]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-[(1-methylpyrazol-4-yl)amino]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one (CID 58093934) is 6-(2-aminopyrimidin-5-yl)-8-[(1-methylpyrazol-4-yl)amino]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-8-[(1-methylpyrazol-4-yl)amino]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-8-[(1-methylpyrazol-4-yl)amino]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one is Cn1cc(Nc2nc(-c3cnc(N)nc3)cc3ccn(CCN4CCOCC4)c(=O)c23)cn1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-8-[(1-methylpyrazol-4-yl)amino]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one?
The InChIKey is FNSBJYMVVOMMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9O2/c1-29-14-17(13-26-29)27-20-19-15(10-18(28-20)16-11-24-22(23)25-12-16)2-3-31(21(19)32)5-4-30-6-8-33-9-7-30/h2-3,10-14H,4-9H2,1H3,(H,27,28)(H2,23,24,25).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-8-[(1-methylpyrazol-4-yl)amino]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one?
6-(2-aminopyrimidin-5-yl)-8-[(1-methylpyrazol-4-yl)amino]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one has a molecular weight of 447.50 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-8-[(1-methylpyrazol-4-yl)amino]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one is sourced from PubChem (CID 58093934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).