6-[4-(3,3-dimethylpiperidin-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine

C29H35F4N7O — CID 164534943

IUPAC6-[4-(3,3-dimethylpiperidin-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(N)nc(-c2ncc3c(N4CCCC(C)(C)C4)nc(OCC45CCCN4CCC5)nc3c2F)c1C(F)(F)F
InChIInChI=1S/C29H35F4N7O/c1-17-13-19(34)36-23(20(17)29(31,32)33)24-21(30)22-18(14-35-24)25(39-10-4-7-27(2,3)15-39)38-26(37-22)41-16-28-8-5-11-40(28)12-6-9-28/h13-14H,4-12,15-16H2,1-3H3,(H2,34,36)
InChIKeyHCHFTJGXZVGJMJ-UHFFFAOYSA-N
MW573.64 g/mol
LogP5.77
Rot. Bonds5

About 6-[4-(3,3-dimethylpiperidin-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine

6-[4-(3,3-dimethylpiperidin-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 164534943) has the molecular formula C29H35F4N7O and a molecular weight of 573.64 g/mol. Its IUPAC name is 6-[4-(3,3-dimethylpiperidin-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[4-(3,3-dimethylpiperidin-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID164534943
Molecular FormulaC29H35F4N7O
Molecular Weight573.64 g/mol
Exact Mass573.28
IUPAC Name6-[4-(3,3-dimethylpiperidin-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(N)nc(-c2ncc3c(N4CCCC(C)(C)C4)nc(OCC45CCCN4CCC5)nc3c2F)c1C(F)(F)F
InChIInChI=1S/C29H35F4N7O/c1-17-13-19(34)36-23(20(17)29(31,32)33)24-21(30)22-18(14-35-24)25(39-10-4-7-27(2,3)15-39)38-26(37-22)41-16-28-8-5-11-40(28)12-6-9-28/h13-14H,4-12,15-16H2,1-3H3,(H2,34,36)
InChIKeyHCHFTJGXZVGJMJ-UHFFFAOYSA-N
XLogP5.77
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.64
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-(3,3-dimethylpiperidin-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,3-dimethylpiperidin-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-[4-(3,3-dimethylpiperidin-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine (CID 164534943) is 6-[4-(3,3-dimethylpiperidin-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-[4-(3,3-dimethylpiperidin-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-[4-(3,3-dimethylpiperidin-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine is Cc1cc(N)nc(-c2ncc3c(N4CCCC(C)(C)C4)nc(OCC45CCCN4CCC5)nc3c2F)c1C(F)(F)F.
What is the InChIKey of 6-[4-(3,3-dimethylpiperidin-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HCHFTJGXZVGJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F4N7O/c1-17-13-19(34)36-23(20(17)29(31,32)33)24-21(30)22-18(14-35-24)25(39-10-4-7-27(2,3)15-39)38-26(37-22)41-16-28-8-5-11-40(28)12-6-9-28/h13-14H,4-12,15-16H2,1-3H3,(H2,34,36).
What are the key properties of 6-[4-(3,3-dimethylpiperidin-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
6-[4-(3,3-dimethylpiperidin-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 573.64 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,3-dimethylpiperidin-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 164534943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).