1-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperazin-2-one

C21H25N7O2 — CID 118869300

IUPAC1-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperazin-2-one
SMILESC[C@@H]1COCCN1c1cc(N2CCN(C)C(=O)C2)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H25N7O2/c1-14-13-30-10-9-28(14)18-11-17(27-8-7-26(2)19(29)12-27)15-3-5-22-21(20(15)24-18)16-4-6-23-25-16/h3-6,11,14H,7-10,12-13H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyNTZUZGRKKIRVRN-CQSZACIVSA-N
MW407.48 g/mol
LogP1.52
Rot. Bonds3

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

1-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperazin-2-one (PubChem CID 118869300) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 1-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperazin-2-one
PubChem CID118869300
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name1-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperazin-2-one
SMILESC[C@@H]1COCCN1c1cc(N2CCN(C)C(=O)C2)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H25N7O2/c1-14-13-30-10-9-28(14)18-11-17(27-8-7-26(2)19(29)12-27)15-3-5-22-21(20(15)24-18)16-4-6-23-25-16/h3-6,11,14H,7-10,12-13H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyNTZUZGRKKIRVRN-CQSZACIVSA-N
XLogP1.52
TPSA90.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperazin-2-one 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-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperazin-2-one (CID 118869300) is 1-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperazin-2-one is C[C@@H]1COCCN1c1cc(N2CCN(C)C(=O)C2)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of 1-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperazin-2-one?
The InChIKey is NTZUZGRKKIRVRN-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-14-13-30-10-9-28(14)18-11-17(27-8-7-26(2)19(29)12-27)15-3-5-22-21(20(15)24-18)16-4-6-23-25-16/h3-6,11,14H,7-10,12-13H2,1-2H3,(H,23,25)/t14-/m1/s1.
What are the key properties of 1-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperazin-2-one?
1-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperazin-2-one has a molecular weight of 407.48 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]piperazin-2-one is sourced from PubChem (CID 118869300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).