4-[4-(azepan-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-methyl-2-morpholin-4-yl-N-propyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-amine;[1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-yl]methanol

C60H74N18O4 — CID 135313357

About 4-[4-(azepan-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-methyl-2-morpholin-4-yl-N-propyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-amine;[1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-yl]methanol

4-[4-(azepan-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-methyl-2-morpholin-4-yl-N-propyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-amine;[1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 135313357) has the molecular formula C60H74N18O4 and a molecular weight of 1111.37 g/mol. Its IUPAC name is 4-[4-(azepan-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-methyl-2-morpholin-4-yl-N-propyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-amine;[1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: 4-[4-(azepan-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-methyl-2-morpholin-4-yl-N-propyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-amine;[1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-yl]methanol
• PubChem CID: 135313357
• Molecular Formula: C60H74N18O4
• Molecular Weight: 1111.37 g/mol
• Exact Mass: 1110.61
• IUPAC Name: 4-[4-(azepan-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-methyl-2-morpholin-4-yl-N-propyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-amine;[1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-yl]methanol
• SMILES: CCCN(C)c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.OCC1CCCN1c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.c1cc(-c2nccc3c(N4CCCCCC4)cc(N4CCOCC4)nc23)[nH]n1
• InChI: InChI=1S/C21H26N6O.C20H24N6O2.C19H24N6O/c1-2-4-10-26(9-3-1)18-15-19(27-11-13-28-14-12-27)24-20-16(18)5-7-22-21(20)17-6-8-23-25-17;27-13-14-2-1-7-26(14)17-12-18(25-8-10-28-11-9-25)23-19-15(17)3-5-21-20(19)16-4-6-22-24-16;1-3-8-24(2)16-13-17(25-9-11-26-12-10-25)22-18-14(16)4-6-20-19(18)15-5-7-21-23-15/h5-8,15H,1-4,9-14H2,(H,23,25);3-6,12,14,27H,1-2,7-11,13H2,(H,22,24);4-7,13H,3,8-12H2,1-2H3,(H,21,23)
• InChIKey: SHGKTNSWABZPSK-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 230.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1111.37
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-[4-(azepan-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-methyl-2-morpholin-4-yl-N-propyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-amine;[1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-yl]methanol?

The IUPAC name of 4-[4-(azepan-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-methyl-2-morpholin-4-yl-N-propyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-amine;[1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-yl]methanol (CID 135313357) is 4-[4-(azepan-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-methyl-2-morpholin-4-yl-N-propyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-amine;[1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-yl]methanol.

What is the SMILES notation for 4-[4-(azepan-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-methyl-2-morpholin-4-yl-N-propyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-amine;[1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-yl]methanol?

The canonical SMILES for 4-[4-(azepan-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-methyl-2-morpholin-4-yl-N-propyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-amine;[1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-yl]methanol is CCCN(C)c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.OCC1CCCN1c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.c1cc(-c2nccc3c(N4CCCCCC4)cc(N4CCOCC4)nc23)[nH]n1.

What is the InChIKey of 4-[4-(azepan-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-methyl-2-morpholin-4-yl-N-propyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-amine;[1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-yl]methanol?

The InChIKey is SHGKTNSWABZPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O.C20H24N6O2.C19H24N6O/c1-2-4-10-26(9-3-1)18-15-19(27-11-13-28-14-12-27)24-20-16(18)5-7-22-21(20)17-6-8-23-25-17;27-13-14-2-1-7-26(14)17-12-18(25-8-10-28-11-9-25)23-19-15(17)3-5-21-20(19)16-4-6-22-24-16;1-3-8-24(2)16-13-17(25-9-11-26-12-10-25)22-18-14(16)4-6-20-19(18)15-5-7-21-23-15/h5-8,15H,1-4,9-14H2,(H,23,25);3-6,12,14,27H,1-2,7-11,13H2,(H,22,24);4-7,13H,3,8-12H2,1-2H3,(H,21,23).

What are the key properties of 4-[4-(azepan-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-methyl-2-morpholin-4-yl-N-propyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-amine;[1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-yl]methanol?

4-[4-(azepan-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-methyl-2-morpholin-4-yl-N-propyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-amine;[1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 1111.37 g/mol, XLogP of 7.76, 12 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(azepan-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;N-methyl-2-morpholin-4-yl-N-propyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-amine;[1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 135313357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).