8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-methylindazol-6-yl)pyrido[4,3-d]pyrimidin-4-amine

C33H29F2N7O — CID 167380999

IUPAC8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-methylindazol-6-yl)pyrido[4,3-d]pyrimidin-4-amine
SMILESCn1ncc2ccc(Nc3nc(OCC45CCCN4CCC5)nc4c(F)c(-c5cccc6cccc(F)c56)ncc34)cc21
InChIInChI=1S/C33H29F2N7O/c1-41-26-16-22(11-10-21(26)17-37-41)38-31-24-18-36-29(23-8-2-6-20-7-3-9-25(34)27(20)23)28(35)30(24)39-32(40-31)43-19-33-12-4-14-42(33)15-5-13-33/h2-3,6-11,16-18H,4-5,12-15,19H2,1H3,(H,38,39,40)
InChIKeyWSGYIZIAIGSMNS-UHFFFAOYSA-N
MW577.64 g/mol
LogP6.76
Rot. Bonds6

About 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-methylindazol-6-yl)pyrido[4,3-d]pyrimidin-4-amine

8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-methylindazol-6-yl)pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 167380999) has the molecular formula C33H29F2N7O and a molecular weight of 577.64 g/mol. Its IUPAC name is 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-methylindazol-6-yl)pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-methylindazol-6-yl)pyrido[4,3-d]pyrimidin-4-amine
PubChem CID167380999
Molecular FormulaC33H29F2N7O
Molecular Weight577.64 g/mol
Exact Mass577.24
IUPAC Name8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-methylindazol-6-yl)pyrido[4,3-d]pyrimidin-4-amine
SMILESCn1ncc2ccc(Nc3nc(OCC45CCCN4CCC5)nc4c(F)c(-c5cccc6cccc(F)c56)ncc34)cc21
InChIInChI=1S/C33H29F2N7O/c1-41-26-16-22(11-10-21(26)17-37-41)38-31-24-18-36-29(23-8-2-6-20-7-3-9-25(34)27(20)23)28(35)30(24)39-32(40-31)43-19-33-12-4-14-42(33)15-5-13-33/h2-3,6-11,16-18H,4-5,12-15,19H2,1H3,(H,38,39,40)
InChIKeyWSGYIZIAIGSMNS-UHFFFAOYSA-N
XLogP6.76
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.64
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-methylindazol-6-yl)pyrido[4,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-methylindazol-6-yl)pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-methylindazol-6-yl)pyrido[4,3-d]pyrimidin-4-amine (CID 167380999) is 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-methylindazol-6-yl)pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-methylindazol-6-yl)pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-methylindazol-6-yl)pyrido[4,3-d]pyrimidin-4-amine is Cn1ncc2ccc(Nc3nc(OCC45CCCN4CCC5)nc4c(F)c(-c5cccc6cccc(F)c56)ncc34)cc21.
What is the InChIKey of 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-methylindazol-6-yl)pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is WSGYIZIAIGSMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29F2N7O/c1-41-26-16-22(11-10-21(26)17-37-41)38-31-24-18-36-29(23-8-2-6-20-7-3-9-25(34)27(20)23)28(35)30(24)39-32(40-31)43-19-33-12-4-14-42(33)15-5-13-33/h2-3,6-11,16-18H,4-5,12-15,19H2,1H3,(H,38,39,40).
What are the key properties of 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-methylindazol-6-yl)pyrido[4,3-d]pyrimidin-4-amine?
8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-methylindazol-6-yl)pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 577.64 g/mol, XLogP of 6.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-methylindazol-6-yl)pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167380999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).