[1-[7-(5-chloro-6-methyl-1H-indazol-4-yl)-2-[(1-cyclobutyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-4-yl]piperidin-3-yl]methylcarbamic acid;methoxymethane

C38H50ClFN8O5 — CID 176662578

About [1-[7-(5-chloro-6-methyl-1H-indazol-4-yl)-2-[(1-cyclobutyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-4-yl]piperidin-3-yl]methylcarbamic acid;methoxymethane

[1-[7-(5-chloro-6-methyl-1H-indazol-4-yl)-2-[(1-cyclobutyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-4-yl]piperidin-3-yl]methylcarbamic acid;methoxymethane (PubChem CID 176662578) has the molecular formula C38H50ClFN8O5 and a molecular weight of 753.32 g/mol. Its IUPAC name is [1-[7-(5-chloro-6-methyl-1H-indazol-4-yl)-2-[(1-cyclobutyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-4-yl]piperidin-3-yl]methylcarbamic acid;methoxymethane.

Molecular Properties

• Compound Name: [1-[7-(5-chloro-6-methyl-1H-indazol-4-yl)-2-[(1-cyclobutyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-4-yl]piperidin-3-yl]methylcarbamic acid;methoxymethane
• PubChem CID: 176662578
• Molecular Formula: C38H50ClFN8O5
• Molecular Weight: 753.32 g/mol
• Exact Mass: 752.36
• IUPAC Name: [1-[7-(5-chloro-6-methyl-1H-indazol-4-yl)-2-[(1-cyclobutyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-4-yl]piperidin-3-yl]methylcarbamic acid;methoxymethane
• SMILES: COC.COc1nc(-c2c(Cl)c(C)cc3[nH]ncc23)c(F)c2nc(OCC34CCCC3N(C3CCC3)CCC4)nc(N3CCCC(CNC(=O)O)C3)c12
• InChI: InChI=1S/C36H44ClFN8O4.C2H6O/c1-20-15-24-23(17-40-44-24)26(28(20)37)30-29(38)31-27(33(41-30)49-2)32(45-13-5-7-21(18-45)16-39-35(47)48)43-34(42-31)50-19-36-11-4-10-25(36)46(14-6-12-36)22-8-3-9-22;1-3-2/h15,17,21-22,25,39H,3-14,16,18-19H2,1-2H3,(H,40,44)(H,47,48);1-2H3
• InChIKey: LDXPLBFOVPTJFP-UHFFFAOYSA-N
• XLogP: 6.99
• TPSA: 150.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.32
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [1-[7-(5-chloro-6-methyl-1H-indazol-4-yl)-2-[(1-cyclobutyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-4-yl]piperidin-3-yl]methylcarbamic acid;methoxymethane?

The IUPAC name of [1-[7-(5-chloro-6-methyl-1H-indazol-4-yl)-2-[(1-cyclobutyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-4-yl]piperidin-3-yl]methylcarbamic acid;methoxymethane (CID 176662578) is [1-[7-(5-chloro-6-methyl-1H-indazol-4-yl)-2-[(1-cyclobutyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-4-yl]piperidin-3-yl]methylcarbamic acid;methoxymethane.

What is the SMILES notation for [1-[7-(5-chloro-6-methyl-1H-indazol-4-yl)-2-[(1-cyclobutyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-4-yl]piperidin-3-yl]methylcarbamic acid;methoxymethane?

The canonical SMILES for [1-[7-(5-chloro-6-methyl-1H-indazol-4-yl)-2-[(1-cyclobutyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-4-yl]piperidin-3-yl]methylcarbamic acid;methoxymethane is COC.COc1nc(-c2c(Cl)c(C)cc3[nH]ncc23)c(F)c2nc(OCC34CCCC3N(C3CCC3)CCC4)nc(N3CCCC(CNC(=O)O)C3)c12.

What is the InChIKey of [1-[7-(5-chloro-6-methyl-1H-indazol-4-yl)-2-[(1-cyclobutyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-4-yl]piperidin-3-yl]methylcarbamic acid;methoxymethane?

The InChIKey is LDXPLBFOVPTJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44ClFN8O4.C2H6O/c1-20-15-24-23(17-40-44-24)26(28(20)37)30-29(38)31-27(33(41-30)49-2)32(45-13-5-7-21(18-45)16-39-35(47)48)43-34(42-31)50-19-36-11-4-10-25(36)46(14-6-12-36)22-8-3-9-22;1-3-2/h15,17,21-22,25,39H,3-14,16,18-19H2,1-2H3,(H,40,44)(H,47,48);1-2H3.

What are the key properties of [1-[7-(5-chloro-6-methyl-1H-indazol-4-yl)-2-[(1-cyclobutyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-4-yl]piperidin-3-yl]methylcarbamic acid;methoxymethane?

[1-[7-(5-chloro-6-methyl-1H-indazol-4-yl)-2-[(1-cyclobutyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-4-yl]piperidin-3-yl]methylcarbamic acid;methoxymethane has a molecular weight of 753.32 g/mol, XLogP of 6.99, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[7-(5-chloro-6-methyl-1H-indazol-4-yl)-2-[(1-cyclobutyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-4-yl]piperidin-3-yl]methylcarbamic acid;methoxymethane is sourced from PubChem (CID 176662578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).