4-[4-(5-methyl-1H-pyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-one

C38H39N13O3 — CID 135313311

IUPAC4-[4-(5-methyl-1H-pyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-one
SMILESCc1cc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)n[nH]1.O=C1CCCN1c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C19H19N7O.C19H20N6O2/c1-12-10-16(25-23-12)14-11-17(26-6-8-27-9-7-26)22-18-13(14)2-4-20-19(18)15-3-5-21-24-15;26-17-2-1-7-25(17)15-12-16(24-8-10-27-11-9-24)22-18-13(15)3-5-20-19(18)14-4-6-21-23-14/h2-5,10-11H,6-9H2,1H3,(H,21,24)(H,23,25);3-6,12H,1-2,7-11H2,(H,21,23)
InChIKeySQRZVGXELLSLCQ-UHFFFAOYSA-N
MW725.82 g/mol
LogP4.54
Rot. Bonds6

About 4-[4-(5-methyl-1H-pyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-one

4-[4-(5-methyl-1H-pyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-one (PubChem CID 135313311) has the molecular formula C38H39N13O3 and a molecular weight of 725.82 g/mol. Its IUPAC name is 4-[4-(5-methyl-1H-pyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(5-methyl-1H-pyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-one
PubChem CID135313311
Molecular FormulaC38H39N13O3
Molecular Weight725.82 g/mol
Exact Mass725.33
IUPAC Name4-[4-(5-methyl-1H-pyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-one
SMILESCc1cc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)n[nH]1.O=C1CCCN1c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C19H19N7O.C19H20N6O2/c1-12-10-16(25-23-12)14-11-17(26-6-8-27-9-7-26)22-18-13(14)2-4-20-19(18)15-3-5-21-24-15;26-17-2-1-7-25(17)15-12-16(24-8-10-27-11-9-24)22-18-13(15)3-5-20-19(18)14-4-6-21-23-14/h2-5,10-11H,6-9H2,1H3,(H,21,24)(H,23,25);3-6,12H,1-2,7-11H2,(H,21,23)
InChIKeySQRZVGXELLSLCQ-UHFFFAOYSA-N
XLogP4.54
TPSA182.85 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.82
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 4-[4-(5-methyl-1H-pyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methyl-1H-pyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-[4-(5-methyl-1H-pyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-one (CID 135313311) is 4-[4-(5-methyl-1H-pyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(5-methyl-1H-pyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-(5-methyl-1H-pyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-one is Cc1cc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)n[nH]1.O=C1CCCN1c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of 4-[4-(5-methyl-1H-pyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-one?
The InChIKey is SQRZVGXELLSLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O.C19H20N6O2/c1-12-10-16(25-23-12)14-11-17(26-6-8-27-9-7-26)22-18-13(14)2-4-20-19(18)15-3-5-21-24-15;26-17-2-1-7-25(17)15-12-16(24-8-10-27-11-9-24)22-18-13(15)3-5-20-19(18)14-4-6-21-23-14/h2-5,10-11H,6-9H2,1H3,(H,21,24)(H,23,25);3-6,12H,1-2,7-11H2,(H,21,23).
What are the key properties of 4-[4-(5-methyl-1H-pyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-one?
4-[4-(5-methyl-1H-pyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-one has a molecular weight of 725.82 g/mol, XLogP of 4.54, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methyl-1H-pyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 135313311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).