1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxamide

C21H25N7O2 — CID 118869186

IUPAC1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxamide
SMILESC[C@@H]1COCCN1c1cc(N2CCCC2C(N)=O)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H25N7O2/c1-13-12-30-10-9-27(13)18-11-17(28-8-2-3-16(28)21(22)29)14-4-6-23-20(19(14)25-18)15-5-7-24-26-15/h4-7,11,13,16H,2-3,8-10,12H2,1H3,(H2,22,29)(H,24,26)/t13-,16?/m1/s1
InChIKeyVPYBAJXXYIQJLT-JBZHPUCOSA-N
MW407.48 g/mol
LogP1.70
Rot. Bonds4

About 1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxamide

1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 118869186) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxamide
PubChem CID118869186
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxamide
SMILESC[C@@H]1COCCN1c1cc(N2CCCC2C(N)=O)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H25N7O2/c1-13-12-30-10-9-27(13)18-11-17(28-8-2-3-16(28)21(22)29)14-4-6-23-20(19(14)25-18)15-5-7-24-26-15/h4-7,11,13,16H,2-3,8-10,12H2,1H3,(H2,22,29)(H,24,26)/t13-,16?/m1/s1
InChIKeyVPYBAJXXYIQJLT-JBZHPUCOSA-N
XLogP1.70
TPSA113.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxamide (CID 118869186) is 1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxamide is C[C@@H]1COCCN1c1cc(N2CCCC2C(N)=O)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of 1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is VPYBAJXXYIQJLT-JBZHPUCOSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-13-12-30-10-9-27(13)18-11-17(28-8-2-3-16(28)21(22)29)14-4-6-23-20(19(14)25-18)15-5-7-24-26-15/h4-7,11,13,16H,2-3,8-10,12H2,1H3,(H2,22,29)(H,24,26)/t13-,16?/m1/s1.
What are the key properties of 1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxamide?
1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 407.48 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118869186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).