9-[7-(6-chloro-5-hydroxy-1H-indazol-4-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-(methoxymethyl)-6-oxa-9-azaspiro[3.6]decan-2-ol

C32H36ClF2N7O5 — CID 177330010

About 9-[7-(6-chloro-5-hydroxy-1H-indazol-4-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-(methoxymethyl)-6-oxa-9-azaspiro[3.6]decan-2-ol

9-[7-(6-chloro-5-hydroxy-1H-indazol-4-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-(methoxymethyl)-6-oxa-9-azaspiro[3.6]decan-2-ol (PubChem CID 177330010) has the molecular formula C32H36ClF2N7O5 and a molecular weight of 672.13 g/mol. Its IUPAC name is 9-[7-(6-chloro-5-hydroxy-1H-indazol-4-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-(methoxymethyl)-6-oxa-9-azaspiro[3.6]decan-2-ol.

Molecular Properties

• Compound Name: 9-[7-(6-chloro-5-hydroxy-1H-indazol-4-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-(methoxymethyl)-6-oxa-9-azaspiro[3.6]decan-2-ol
• PubChem CID: 177330010
• Molecular Formula: C32H36ClF2N7O5
• Molecular Weight: 672.13 g/mol
• Exact Mass: 671.24
• IUPAC Name: 9-[7-(6-chloro-5-hydroxy-1H-indazol-4-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-(methoxymethyl)-6-oxa-9-azaspiro[3.6]decan-2-ol
• SMILES: COCC1(O)CC2(COCCN(c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc4c(F)c(-c5c(O)c(Cl)cc6[nH]ncc56)ncc34)C2)C1
• InChI: InChI=1S/C32H36ClF2N7O5/c1-45-17-32(44)12-30(13-32)14-41(5-6-46-15-30)28-20-9-36-26(23-19-10-37-40-22(19)7-21(33)27(23)43)24(35)25(20)38-29(39-28)47-16-31-3-2-4-42(31)11-18(34)8-31/h7,9-10,18,43-44H,2-6,8,11-17H2,1H3,(H,37,40)/t18-,30?,31+,32?/m1/s1
• InChIKey: UWAPNFYHWKXGHE-WKTMPPAGSA-N
• XLogP: 4.02
• TPSA: 141.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.13
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 9-[7-(6-chloro-5-hydroxy-1H-indazol-4-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-(methoxymethyl)-6-oxa-9-azaspiro[3.6]decan-2-ol?

The IUPAC name of 9-[7-(6-chloro-5-hydroxy-1H-indazol-4-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-(methoxymethyl)-6-oxa-9-azaspiro[3.6]decan-2-ol (CID 177330010) is 9-[7-(6-chloro-5-hydroxy-1H-indazol-4-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-(methoxymethyl)-6-oxa-9-azaspiro[3.6]decan-2-ol.

What is the SMILES notation for 9-[7-(6-chloro-5-hydroxy-1H-indazol-4-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-(methoxymethyl)-6-oxa-9-azaspiro[3.6]decan-2-ol?

The canonical SMILES for 9-[7-(6-chloro-5-hydroxy-1H-indazol-4-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-(methoxymethyl)-6-oxa-9-azaspiro[3.6]decan-2-ol is COCC1(O)CC2(COCCN(c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc4c(F)c(-c5c(O)c(Cl)cc6[nH]ncc56)ncc34)C2)C1.

What is the InChIKey of 9-[7-(6-chloro-5-hydroxy-1H-indazol-4-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-(methoxymethyl)-6-oxa-9-azaspiro[3.6]decan-2-ol?

The InChIKey is UWAPNFYHWKXGHE-WKTMPPAGSA-N. The full InChI is InChI=1S/C32H36ClF2N7O5/c1-45-17-32(44)12-30(13-32)14-41(5-6-46-15-30)28-20-9-36-26(23-19-10-37-40-22(19)7-21(33)27(23)43)24(35)25(20)38-29(39-28)47-16-31-3-2-4-42(31)11-18(34)8-31/h7,9-10,18,43-44H,2-6,8,11-17H2,1H3,(H,37,40)/t18-,30?,31+,32?/m1/s1.

What are the key properties of 9-[7-(6-chloro-5-hydroxy-1H-indazol-4-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-(methoxymethyl)-6-oxa-9-azaspiro[3.6]decan-2-ol?

9-[7-(6-chloro-5-hydroxy-1H-indazol-4-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-(methoxymethyl)-6-oxa-9-azaspiro[3.6]decan-2-ol has a molecular weight of 672.13 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[7-(6-chloro-5-hydroxy-1H-indazol-4-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-(methoxymethyl)-6-oxa-9-azaspiro[3.6]decan-2-ol is sourced from PubChem (CID 177330010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).