N-cyclopropyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;N,N-dimethyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide

C49H48N12O4 — CID 118869617

IUPACN-cyclopropyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;N,N-dimethyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide
SMILESCN(C)C(=O)c1ccccc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.O=C(NC1CC1)c1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1
InChIInChI=1S/C25H24N6O2.C24H24N6O2/c32-25(28-18-5-6-18)17-3-1-16(2-4-17)20-15-22(31-11-13-33-14-12-31)29-23-19(20)7-9-26-24(23)21-8-10-27-30-21;1-29(2)24(31)18-6-4-3-5-16(18)19-15-21(30-11-13-32-14-12-30)27-22-17(19)7-9-25-23(22)20-8-10-26-28-20/h1-4,7-10,15,18H,5-6,11-14H2,(H,27,30)(H,28,32);3-10,15H,11-14H2,1-2H3,(H,26,28)
InChIKeyWQLWCASGSRJKKJ-UHFFFAOYSA-N
MW869.00 g/mol
LogP6.64
Rot. Bonds9

About N-cyclopropyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;N,N-dimethyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide

N-cyclopropyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;N,N-dimethyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide (PubChem CID 118869617) has the molecular formula C49H48N12O4 and a molecular weight of 869.00 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;N,N-dimethyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;N,N-dimethyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide
PubChem CID118869617
Molecular FormulaC49H48N12O4
Molecular Weight869.00 g/mol
Exact Mass868.39
IUPAC NameN-cyclopropyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;N,N-dimethyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide
SMILESCN(C)C(=O)c1ccccc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.O=C(NC1CC1)c1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1
InChIInChI=1S/C25H24N6O2.C24H24N6O2/c32-25(28-18-5-6-18)17-3-1-16(2-4-17)20-15-22(31-11-13-33-14-12-31)29-23-19(20)7-9-26-24(23)21-8-10-27-30-21;1-29(2)24(31)18-6-4-3-5-16(18)19-15-21(30-11-13-32-14-12-30)27-22-17(19)7-9-25-23(22)20-8-10-26-28-20/h1-4,7-10,15,18H,5-6,11-14H2,(H,27,30)(H,28,32);3-10,15H,11-14H2,1-2H3,(H,26,28)
InChIKeyWQLWCASGSRJKKJ-UHFFFAOYSA-N
XLogP6.64
TPSA183.27 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500869.00
LogP ≤ 56.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-cyclopropyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;N,N-dimethyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;N,N-dimethyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;N,N-dimethyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide (CID 118869617) is N-cyclopropyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;N,N-dimethyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;N,N-dimethyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;N,N-dimethyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide is CN(C)C(=O)c1ccccc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.O=C(NC1CC1)c1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1.
What is the InChIKey of N-cyclopropyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;N,N-dimethyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide?
The InChIKey is WQLWCASGSRJKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2.C24H24N6O2/c32-25(28-18-5-6-18)17-3-1-16(2-4-17)20-15-22(31-11-13-33-14-12-31)29-23-19(20)7-9-26-24(23)21-8-10-27-30-21;1-29(2)24(31)18-6-4-3-5-16(18)19-15-21(30-11-13-32-14-12-30)27-22-17(19)7-9-25-23(22)20-8-10-26-28-20/h1-4,7-10,15,18H,5-6,11-14H2,(H,27,30)(H,28,32);3-10,15H,11-14H2,1-2H3,(H,26,28).
What are the key properties of N-cyclopropyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;N,N-dimethyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide?
N-cyclopropyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;N,N-dimethyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide has a molecular weight of 869.00 g/mol, XLogP of 6.64, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;N,N-dimethyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide is sourced from PubChem (CID 118869617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).