7-[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-2λ6-thia-1,3,7,10-tetrazaspiro[4.5]decane 2,2-dioxide

C29H35FN10O3S — CID 164535167

About 7-[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-2λ6-thia-1,3,7,10-tetrazaspiro[4.5]decane 2,2-dioxide

7-[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-2λ6-thia-1,3,7,10-tetrazaspiro[4.5]decane 2,2-dioxide (PubChem CID 164535167) has the molecular formula C29H35FN10O3S and a molecular weight of 622.73 g/mol. Its IUPAC name is 7-[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-2λ6-thia-1,3,7,10-tetrazaspiro[4.5]decane 2,2-dioxide.

Molecular Properties

• Compound Name: 7-[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-2λ6-thia-1,3,7,10-tetrazaspiro[4.5]decane 2,2-dioxide
• PubChem CID: 164535167
• Molecular Formula: C29H35FN10O3S
• Molecular Weight: 622.73 g/mol
• Exact Mass: 622.26
• IUPAC Name: 7-[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-2λ6-thia-1,3,7,10-tetrazaspiro[4.5]decane 2,2-dioxide
• SMILES: Cc1cc2[nH]ncc2c(-c2ncc3c(N4CCNC5(CNS(=O)(=O)N5)C4)nc(OCC45CCCN4CCC5)nc3c2F)c1C
• InChI: InChI=1S/C29H35FN10O3S/c1-17-11-21-19(13-33-37-21)22(18(17)2)25-23(30)24-20(12-31-25)26(39-10-7-32-29(15-39)14-34-44(41,42)38-29)36-27(35-24)43-16-28-5-3-8-40(28)9-4-6-28/h11-13,32,34,38H,3-10,14-16H2,1-2H3,(H,33,37)
• InChIKey: KSFIIDSGFRGWMS-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 153.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	622.73
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-2λ6-thia-1,3,7,10-tetrazaspiro[4.5]decane 2,2-dioxide?

The IUPAC name of 7-[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-2λ6-thia-1,3,7,10-tetrazaspiro[4.5]decane 2,2-dioxide (CID 164535167) is 7-[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-2λ6-thia-1,3,7,10-tetrazaspiro[4.5]decane 2,2-dioxide.

What is the SMILES notation for 7-[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-2λ6-thia-1,3,7,10-tetrazaspiro[4.5]decane 2,2-dioxide?

The canonical SMILES for 7-[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-2λ6-thia-1,3,7,10-tetrazaspiro[4.5]decane 2,2-dioxide is Cc1cc2[nH]ncc2c(-c2ncc3c(N4CCNC5(CNS(=O)(=O)N5)C4)nc(OCC45CCCN4CCC5)nc3c2F)c1C.

What is the InChIKey of 7-[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-2λ6-thia-1,3,7,10-tetrazaspiro[4.5]decane 2,2-dioxide?

The InChIKey is KSFIIDSGFRGWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN10O3S/c1-17-11-21-19(13-33-37-21)22(18(17)2)25-23(30)24-20(12-31-25)26(39-10-7-32-29(15-39)14-34-44(41,42)38-29)36-27(35-24)43-16-28-5-3-8-40(28)9-4-6-28/h11-13,32,34,38H,3-10,14-16H2,1-2H3,(H,33,37).

What are the key properties of 7-[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-2λ6-thia-1,3,7,10-tetrazaspiro[4.5]decane 2,2-dioxide?

7-[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-2λ6-thia-1,3,7,10-tetrazaspiro[4.5]decane 2,2-dioxide has a molecular weight of 622.73 g/mol, XLogP of 1.87, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-2λ6-thia-1,3,7,10-tetrazaspiro[4.5]decane 2,2-dioxide is sourced from PubChem (CID 164535167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).