ethyl 1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid

C95H123N19O5 — CID 160657966

About ethyl 1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid

ethyl 1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid (PubChem CID 160657966) has the molecular formula C95H123N19O5 and a molecular weight of 1611.16 g/mol. Its IUPAC name is ethyl 1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid.

Molecular Properties

• Compound Name: ethyl 1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
• PubChem CID: 160657966
• Molecular Formula: C95H123N19O5
• Molecular Weight: 1611.16 g/mol
• Exact Mass: 1610.00
• IUPAC Name: ethyl 1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
• SMILES: CC(CCN1CCCCC1)Nc1cc(-c2ccc3c(c2)cc(C(=O)NC2CCN(C)CC2)n3C)nc2ccncc12.CC(CCN1CCCCC1)Nc1cc(-c2ccc3c(c2)cc(C(=O)O)n3C)nc2ccncc12.CCOC(=O)c1cc2cc(-c3cc(NC(C)CCN4CCCCC4)c4cnccc4n3)ccc2n1C.CN1CCC(N)CC1
• InChI: InChI=1S/C33H43N7O.C29H35N5O2.C27H31N5O2.C6H14N2/c1-23(10-18-40-14-5-4-6-15-40)35-30-21-29(37-28-9-13-34-22-27(28)30)24-7-8-31-25(19-24)20-32(39(31)3)33(41)36-26-11-16-38(2)17-12-26;1-4-36-29(35)28-17-22-16-21(8-9-27(22)33(28)3)25-18-26(23-19-30-12-10-24(23)32-25)31-20(2)11-15-34-13-6-5-7-14-34;1-18(9-13-32-11-4-3-5-12-32)29-24-16-23(30-22-8-10-28-17-21(22)24)19-6-7-25-20(14-19)15-26(27(33)34)31(25)2;1-8-4-2-6(7)3-5-8/h7-9,13,19-23,26H,4-6,10-12,14-18H2,1-3H3,(H,35,37)(H,36,41);8-10,12,16-20H,4-7,11,13-15H2,1-3H3,(H,31,32);6-8,10,14-18H,3-5,9,11-13H2,1-2H3,(H,29,30)(H,33,34);6H,2-5,7H2,1H3
• InChIKey: RLHKBEQHMOIQFY-UHFFFAOYSA-N
• XLogP: 16.13
• TPSA: 263.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1611.16
LogP ≤ 5	16.13
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?

The IUPAC name of ethyl 1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid (CID 160657966) is ethyl 1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid.

What is the SMILES notation for ethyl 1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?

The canonical SMILES for ethyl 1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid is CC(CCN1CCCCC1)Nc1cc(-c2ccc3c(c2)cc(C(=O)NC2CCN(C)CC2)n3C)nc2ccncc12.CC(CCN1CCCCC1)Nc1cc(-c2ccc3c(c2)cc(C(=O)O)n3C)nc2ccncc12.CCOC(=O)c1cc2cc(-c3cc(NC(C)CCN4CCCCC4)c4cnccc4n3)ccc2n1C.CN1CCC(N)CC1.

What is the InChIKey of ethyl 1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?

The InChIKey is RLHKBEQHMOIQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N7O.C29H35N5O2.C27H31N5O2.C6H14N2/c1-23(10-18-40-14-5-4-6-15-40)35-30-21-29(37-28-9-13-34-22-27(28)30)24-7-8-31-25(19-24)20-32(39(31)3)33(41)36-26-11-16-38(2)17-12-26;1-4-36-29(35)28-17-22-16-21(8-9-27(22)33(28)3)25-18-26(23-19-30-12-10-24(23)32-25)31-20(2)11-15-34-13-6-5-7-14-34;1-18(9-13-32-11-4-3-5-12-32)29-24-16-23(30-22-8-10-28-17-21(22)24)19-6-7-25-20(14-19)15-26(27(33)34)31(25)2;1-8-4-2-6(7)3-5-8/h7-9,13,19-23,26H,4-6,10-12,14-18H2,1-3H3,(H,35,37)(H,36,41);8-10,12,16-20H,4-7,11,13-15H2,1-3H3,(H,31,32);6-8,10,14-18H,3-5,9,11-13H2,1-2H3,(H,29,30)(H,33,34);6H,2-5,7H2,1H3.

What are the key properties of ethyl 1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?

ethyl 1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid has a molecular weight of 1611.16 g/mol, XLogP of 16.13, 23 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid is sourced from PubChem (CID 160657966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).