4-[2,4-dimethyl-4-(methylamino)pyrrolidin-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,7-dimethylpyrido[4,3-d]pyrimidin-5-one

C24H35FN6O2 — CID 170572090

IUPAC4-[2,4-dimethyl-4-(methylamino)pyrrolidin-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,7-dimethylpyrido[4,3-d]pyrimidin-5-one
SMILESCNC1(C)CC(C)N(c2nc(OCC34CCCN3CCC4)nc3c(F)c(C)n(C)c(=O)c23)C1
InChIInChI=1S/C24H35FN6O2/c1-15-12-23(3,26-4)13-31(15)20-17-19(18(25)16(2)29(5)21(17)32)27-22(28-20)33-14-24-8-6-10-30(24)11-7-9-24/h15,26H,6-14H2,1-5H3
InChIKeyVARBKRPFHWBRHZ-UHFFFAOYSA-N
MW458.58 g/mol
LogP2.36
Rot. Bonds5

About 4-[2,4-dimethyl-4-(methylamino)pyrrolidin-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,7-dimethylpyrido[4,3-d]pyrimidin-5-one

4-[2,4-dimethyl-4-(methylamino)pyrrolidin-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,7-dimethylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 170572090) has the molecular formula C24H35FN6O2 and a molecular weight of 458.58 g/mol. Its IUPAC name is 4-[2,4-dimethyl-4-(methylamino)pyrrolidin-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,7-dimethylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-[2,4-dimethyl-4-(methylamino)pyrrolidin-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,7-dimethylpyrido[4,3-d]pyrimidin-5-one
PubChem CID170572090
Molecular FormulaC24H35FN6O2
Molecular Weight458.58 g/mol
Exact Mass458.28
IUPAC Name4-[2,4-dimethyl-4-(methylamino)pyrrolidin-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,7-dimethylpyrido[4,3-d]pyrimidin-5-one
SMILESCNC1(C)CC(C)N(c2nc(OCC34CCCN3CCC4)nc3c(F)c(C)n(C)c(=O)c23)C1
InChIInChI=1S/C24H35FN6O2/c1-15-12-23(3,26-4)13-31(15)20-17-19(18(25)16(2)29(5)21(17)32)27-22(28-20)33-14-24-8-6-10-30(24)11-7-9-24/h15,26H,6-14H2,1-5H3
InChIKeyVARBKRPFHWBRHZ-UHFFFAOYSA-N
XLogP2.36
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[2,4-dimethyl-4-(methylamino)pyrrolidin-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,7-dimethylpyrido[4,3-d]pyrimidin-5-one with MolForge

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Related Compounds

4-(azepan-1-yl)-7-chloro-6-cyclopropyl-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-5-one
CID 166533355
1-[2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1,4-oxazepan-4-yl)-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-6-yl]-2H-isoquinolin-3-one
CID 171650743
1-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4-(1,4-oxazepan-4-yl)-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-6-yl]-2H-isoquinolin-3-one
CID 171650837
1-[(5Z)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-ethylidene-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6-propan-2-yliminoquinazolin-7-yl]-8-ethyl-7-fluoro-2H-isoquinolin-3-one
CID 172596558
1-[(5Z)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-ethylidene-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-8-methyl-6-propan-2-yliminoquinazolin-7-yl]-8-ethyl-7-fluoro-2H-isoquinolin-3-one
CID 172596636
14-fluoro-17-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-13-[4-methyl-6-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]-2,11,16,18,20-pentazapentacyclo[9.7.1.14,7.02,8.015,19]icosa-1(18),13,15(19),16-tetraen-12-one
CID 176790481
8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(methylamino)-7-tributylstannyl-6H-pyrido[4,3-d]pyrimidin-5-one
CID 176974348
CID 176974366
CID 176974366
4-amino-7-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 176974716
7-chloro-4-(ethylamino)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 176974824
7-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(methylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 176974864
2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-piperidin-1-yl-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 177203260

Frequently Asked Questions

What is the IUPAC name of 4-[2,4-dimethyl-4-(methylamino)pyrrolidin-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,7-dimethylpyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 4-[2,4-dimethyl-4-(methylamino)pyrrolidin-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,7-dimethylpyrido[4,3-d]pyrimidin-5-one (CID 170572090) is 4-[2,4-dimethyl-4-(methylamino)pyrrolidin-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,7-dimethylpyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-[2,4-dimethyl-4-(methylamino)pyrrolidin-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,7-dimethylpyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 4-[2,4-dimethyl-4-(methylamino)pyrrolidin-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,7-dimethylpyrido[4,3-d]pyrimidin-5-one is CNC1(C)CC(C)N(c2nc(OCC34CCCN3CCC4)nc3c(F)c(C)n(C)c(=O)c23)C1.
What is the InChIKey of 4-[2,4-dimethyl-4-(methylamino)pyrrolidin-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,7-dimethylpyrido[4,3-d]pyrimidin-5-one?
The InChIKey is VARBKRPFHWBRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN6O2/c1-15-12-23(3,26-4)13-31(15)20-17-19(18(25)16(2)29(5)21(17)32)27-22(28-20)33-14-24-8-6-10-30(24)11-7-9-24/h15,26H,6-14H2,1-5H3.
What are the key properties of 4-[2,4-dimethyl-4-(methylamino)pyrrolidin-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,7-dimethylpyrido[4,3-d]pyrimidin-5-one?
4-[2,4-dimethyl-4-(methylamino)pyrrolidin-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,7-dimethylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 458.58 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-dimethyl-4-(methylamino)pyrrolidin-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,7-dimethylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 170572090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).