tert-butyl N-[4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4-chloro-2-methyl-1,7-naphthyridine;N-ethyl-N-propan-2-ylpropan-2-amine;bis(4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine);hydrochloride

C118H165Cl2N25O4 — CID 161020009

About tert-butyl N-[4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4-chloro-2-methyl-1,7-naphthyridine;N-ethyl-N-propan-2-ylpropan-2-amine;bis(4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine);hydrochloride

tert-butyl N-[4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4-chloro-2-methyl-1,7-naphthyridine;N-ethyl-N-propan-2-ylpropan-2-amine;bis(4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine);hydrochloride (PubChem CID 161020009) has the molecular formula C118H165Cl2N25O4 and a molecular weight of 2068.69 g/mol. Its IUPAC name is tert-butyl N-[4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4-chloro-2-methyl-1,7-naphthyridine;N-ethyl-N-propan-2-ylpropan-2-amine;bis(4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine);hydrochloride.

Molecular Properties

• Compound Name: tert-butyl N-[4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4-chloro-2-methyl-1,7-naphthyridine;N-ethyl-N-propan-2-ylpropan-2-amine;bis(4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine);hydrochloride
• PubChem CID: 161020009
• Molecular Formula: C118H165Cl2N25O4
• Molecular Weight: 2068.69 g/mol
• Exact Mass: 2066.29
• IUPAC Name: tert-butyl N-[4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4-chloro-2-methyl-1,7-naphthyridine;N-ethyl-N-propan-2-ylpropan-2-amine;bis(4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine);hydrochloride
• SMILES: CCN(C(C)C)C(C)C.Cc1cc(Cl)c2ccncc2n1.Cc1cc(N2CCc3c(c(C)nn3CC34CCC(N)(CC3)CC4)C2)c2ccncc2n1.Cc1cc(N2CCc3c(c(C)nn3CC34CCC(N)(CC3)CC4)C2)c2ccncc2n1.Cc1cc(N2CCc3c(c(C)nn3CC34CCC(NC(=O)OC(C)(C)C)(CC3)CC4)C2)c2ccncc2n1.Cc1nn(CC23CCC(NC(=O)OC(C)(C)C)(CC2)CC3)c2c1CNCC2.Cl
• InChI: InChI=1S/C30H40N6O2.2C25H32N6.C21H34N4O2.C9H7ClN2.C8H19N.ClH/c1-20-16-26(22-6-14-31-17-24(22)32-20)35-15-7-25-23(18-35)21(2)34-36(25)19-29-8-11-30(12-9-29,13-10-29)33-27(37)38-28(3,4)5;2*1-17-13-23(19-3-11-27-14-21(19)28-17)30-12-4-22-20(15-30)18(2)29-31(22)16-24-5-8-25(26,9-6-24)10-7-24;1-15-16-13-22-12-5-17(16)25(24-15)14-20-6-9-21(10-7-20,11-8-20)23-18(26)27-19(2,3)4;1-6-4-8(10)7-2-3-11-5-9(7)12-6;1-6-9(7(2)3)8(4)5;/h6,14,16-17H,7-13,15,18-19H2,1-5H3,(H,33,37);2*3,11,13-14H,4-10,12,15-16,26H2,1-2H3;22H,5-14H2,1-4H3,(H,23,26);2-5H,1H3;7-8H,6H2,1-5H3;1H
• InChIKey: XAMDWBNNKHIIEN-UHFFFAOYSA-N
• XLogP: 22.33
• TPSA: 328.09 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2068.69
LogP ≤ 5	22.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4-chloro-2-methyl-1,7-naphthyridine;N-ethyl-N-propan-2-ylpropan-2-amine;bis(4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine);hydrochloride?

The IUPAC name of tert-butyl N-[4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4-chloro-2-methyl-1,7-naphthyridine;N-ethyl-N-propan-2-ylpropan-2-amine;bis(4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine);hydrochloride (CID 161020009) is tert-butyl N-[4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4-chloro-2-methyl-1,7-naphthyridine;N-ethyl-N-propan-2-ylpropan-2-amine;bis(4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine);hydrochloride.

What is the SMILES notation for tert-butyl N-[4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4-chloro-2-methyl-1,7-naphthyridine;N-ethyl-N-propan-2-ylpropan-2-amine;bis(4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine);hydrochloride?

The canonical SMILES for tert-butyl N-[4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4-chloro-2-methyl-1,7-naphthyridine;N-ethyl-N-propan-2-ylpropan-2-amine;bis(4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine);hydrochloride is CCN(C(C)C)C(C)C.Cc1cc(Cl)c2ccncc2n1.Cc1cc(N2CCc3c(c(C)nn3CC34CCC(N)(CC3)CC4)C2)c2ccncc2n1.Cc1cc(N2CCc3c(c(C)nn3CC34CCC(N)(CC3)CC4)C2)c2ccncc2n1.Cc1cc(N2CCc3c(c(C)nn3CC34CCC(NC(=O)OC(C)(C)C)(CC3)CC4)C2)c2ccncc2n1.Cc1nn(CC23CCC(NC(=O)OC(C)(C)C)(CC2)CC3)c2c1CNCC2.Cl.

What is the InChIKey of tert-butyl N-[4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4-chloro-2-methyl-1,7-naphthyridine;N-ethyl-N-propan-2-ylpropan-2-amine;bis(4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine);hydrochloride?

The InChIKey is XAMDWBNNKHIIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O2.2C25H32N6.C21H34N4O2.C9H7ClN2.C8H19N.ClH/c1-20-16-26(22-6-14-31-17-24(22)32-20)35-15-7-25-23(18-35)21(2)34-36(25)19-29-8-11-30(12-9-29,13-10-29)33-27(37)38-28(3,4)5;2*1-17-13-23(19-3-11-27-14-21(19)28-17)30-12-4-22-20(15-30)18(2)29-31(22)16-24-5-8-25(26,9-6-24)10-7-24;1-15-16-13-22-12-5-17(16)25(24-15)14-20-6-9-21(10-7-20,11-8-20)23-18(26)27-19(2,3)4;1-6-4-8(10)7-2-3-11-5-9(7)12-6;1-6-9(7(2)3)8(4)5;/h6,14,16-17H,7-13,15,18-19H2,1-5H3,(H,33,37);2*3,11,13-14H,4-10,12,15-16,26H2,1-2H3;22H,5-14H2,1-4H3,(H,23,26);2-5H,1H3;7-8H,6H2,1-5H3;1H.

What are the key properties of tert-butyl N-[4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4-chloro-2-methyl-1,7-naphthyridine;N-ethyl-N-propan-2-ylpropan-2-amine;bis(4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine);hydrochloride?

tert-butyl N-[4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4-chloro-2-methyl-1,7-naphthyridine;N-ethyl-N-propan-2-ylpropan-2-amine;bis(4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine);hydrochloride has a molecular weight of 2068.69 g/mol, XLogP of 22.33, 16 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4-chloro-2-methyl-1,7-naphthyridine;N-ethyl-N-propan-2-ylpropan-2-amine;bis(4-[[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine);hydrochloride is sourced from PubChem (CID 161020009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).