N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;4-[4-(4-phenylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C52H47N11O3 — CID 118869648

IUPACN-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;4-[4-(4-phenylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESO=C(NC1CC1)c1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.c1ccc(-c2ccc(-c3cc(N4CCOCC4)nc4c(-c5ccn[nH]5)nccc34)cc2)cc1
InChIInChI=1S/C27H23N5O.C25H24N6O2/c1-2-4-19(5-3-1)20-6-8-21(9-7-20)23-18-25(32-14-16-33-17-15-32)30-26-22(23)10-12-28-27(26)24-11-13-29-31-24;32-25(28-18-4-5-18)17-3-1-2-16(14-17)20-15-22(31-10-12-33-13-11-31)29-23-19(20)6-8-26-24(23)21-7-9-27-30-21/h1-13,18H,14-17H2,(H,29,31);1-3,6-9,14-15,18H,4-5,10-13H2,(H,27,30)(H,28,32)
InChIKeyJKTSOGPVRWJCEN-UHFFFAOYSA-N
MW874.02 g/mol
LogP8.61
Rot. Bonds9

About N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;4-[4-(4-phenylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;4-[4-(4-phenylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869648) has the molecular formula C52H47N11O3 and a molecular weight of 874.02 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;4-[4-(4-phenylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;4-[4-(4-phenylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869648
Molecular FormulaC52H47N11O3
Molecular Weight874.02 g/mol
Exact Mass873.39
IUPAC NameN-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;4-[4-(4-phenylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESO=C(NC1CC1)c1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.c1ccc(-c2ccc(-c3cc(N4CCOCC4)nc4c(-c5ccn[nH]5)nccc34)cc2)cc1
InChIInChI=1S/C27H23N5O.C25H24N6O2/c1-2-4-19(5-3-1)20-6-8-21(9-7-20)23-18-25(32-14-16-33-17-15-32)30-26-22(23)10-12-28-27(26)24-11-13-29-31-24;32-25(28-18-4-5-18)17-3-1-2-16(14-17)20-15-22(31-10-12-33-13-11-31)29-23-19(20)6-8-26-24(23)21-7-9-27-30-21/h1-13,18H,14-17H2,(H,29,31);1-3,6-9,14-15,18H,4-5,10-13H2,(H,27,30)(H,28,32)
InChIKeyJKTSOGPVRWJCEN-UHFFFAOYSA-N
XLogP8.61
TPSA162.96 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500874.02
LogP ≤ 58.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;4-[4-(4-phenylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;4-[4-(4-phenylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;4-[4-(4-phenylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869648) is N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;4-[4-(4-phenylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;4-[4-(4-phenylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;4-[4-(4-phenylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is O=C(NC1CC1)c1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.c1ccc(-c2ccc(-c3cc(N4CCOCC4)nc4c(-c5ccn[nH]5)nccc34)cc2)cc1.
What is the InChIKey of N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;4-[4-(4-phenylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is JKTSOGPVRWJCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O.C25H24N6O2/c1-2-4-19(5-3-1)20-6-8-21(9-7-20)23-18-25(32-14-16-33-17-15-32)30-26-22(23)10-12-28-27(26)24-11-13-29-31-24;32-25(28-18-4-5-18)17-3-1-2-16(14-17)20-15-22(31-10-12-33-13-11-31)29-23-19(20)6-8-26-24(23)21-7-9-27-30-21/h1-13,18H,14-17H2,(H,29,31);1-3,6-9,14-15,18H,4-5,10-13H2,(H,27,30)(H,28,32).
What are the key properties of N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;4-[4-(4-phenylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;4-[4-(4-phenylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 874.02 g/mol, XLogP of 8.61, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide;4-[4-(4-phenylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).