5-[(3S)-4,4-difluoropyrrolidin-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-N-methylpyrido[4,3-d]pyrimidin-4-amine

C20H24F4N6O — CID 176735274

IUPAC5-[(3S)-4,4-difluoropyrrolidin-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-N-methylpyrido[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(OC[C@@]23CCCN2C[C@H](F)C3)nc2c(F)cnc([C@@H]3CNCC3(F)F)c12
InChIInChI=1S/C20H24F4N6O/c1-25-17-14-15(12-6-26-9-20(12,23)24)27-7-13(22)16(14)28-18(29-17)31-10-19-3-2-4-30(19)8-11(21)5-19/h7,11-12,26H,2-6,8-10H2,1H3,(H,25,28,29)/t11-,12+,19+/m1/s1
InChIKeyHADJTLHKRDYRDE-UFYHVXEKSA-N
MW440.45 g/mol
LogP2.48
Rot. Bonds5

About 5-[(3S)-4,4-difluoropyrrolidin-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-N-methylpyrido[4,3-d]pyrimidin-4-amine

5-[(3S)-4,4-difluoropyrrolidin-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-N-methylpyrido[4,3-d]pyrimidin-4-amine (PubChem CID 176735274) has the molecular formula C20H24F4N6O and a molecular weight of 440.45 g/mol. Its IUPAC name is 5-[(3S)-4,4-difluoropyrrolidin-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-N-methylpyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[(3S)-4,4-difluoropyrrolidin-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-N-methylpyrido[4,3-d]pyrimidin-4-amine
PubChem CID176735274
Molecular FormulaC20H24F4N6O
Molecular Weight440.45 g/mol
Exact Mass440.19
IUPAC Name5-[(3S)-4,4-difluoropyrrolidin-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-N-methylpyrido[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(OC[C@@]23CCCN2C[C@H](F)C3)nc2c(F)cnc([C@@H]3CNCC3(F)F)c12
InChIInChI=1S/C20H24F4N6O/c1-25-17-14-15(12-6-26-9-20(12,23)24)27-7-13(22)16(14)28-18(29-17)31-10-19-3-2-4-30(19)8-11(21)5-19/h7,11-12,26H,2-6,8-10H2,1H3,(H,25,28,29)/t11-,12+,19+/m1/s1
InChIKeyHADJTLHKRDYRDE-UFYHVXEKSA-N
XLogP2.48
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(3S)-4,4-difluoropyrrolidin-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-N-methylpyrido[4,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazoline
CID 175794816
6-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(2-methylpropan-2-yl)oxy]quinazoline
CID 168906657
3-[[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-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]amino]methyl]pyrrolidine-2,5-dione
CID 164534418
6,8-difluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1S,5S)-1-methyl-3-azabicyclo[3.2.1]octan-3-yl]quinazoline
CID 175636826
7-bromo-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6-iodo-4-methylsulfanylquinazoline
CID 177213366
1-[7-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methylpyrido[4,3-d]pyrimidin-4-yl]-N-methylpiperidin-3-amine
CID 171783298
7-bromo-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazoline
CID 162766210
2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-(8-fluoro-3-hydroxynaphthalen-1-yl)-4-[(2-methoxy-2-methylpropyl)amino]-8-methylpyrano[4,3-d]pyrimidin-5-one
CID 171106347
(4R,7R)-12-chloro-4-ethyl-9,9,13-trifluoro-16-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-2,5,11,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaene
CID 174149400
2-amino-7-fluoro-4-[5-fluoro-3-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-(2-hydroxyethylamino)-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile
CID 169202316
3-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-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]amino]ethyl]imidazolidine-2,4-dione
CID 167119966
7-bromo-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6-iodo-N,N-dimethylquinazolin-4-amine
CID 169126214

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-4,4-difluoropyrrolidin-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-N-methylpyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 5-[(3S)-4,4-difluoropyrrolidin-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-N-methylpyrido[4,3-d]pyrimidin-4-amine (CID 176735274) is 5-[(3S)-4,4-difluoropyrrolidin-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-N-methylpyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-[(3S)-4,4-difluoropyrrolidin-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-N-methylpyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-[(3S)-4,4-difluoropyrrolidin-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-N-methylpyrido[4,3-d]pyrimidin-4-amine is CNc1nc(OC[C@@]23CCCN2C[C@H](F)C3)nc2c(F)cnc([C@@H]3CNCC3(F)F)c12.
What is the InChIKey of 5-[(3S)-4,4-difluoropyrrolidin-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-N-methylpyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is HADJTLHKRDYRDE-UFYHVXEKSA-N. The full InChI is InChI=1S/C20H24F4N6O/c1-25-17-14-15(12-6-26-9-20(12,23)24)27-7-13(22)16(14)28-18(29-17)31-10-19-3-2-4-30(19)8-11(21)5-19/h7,11-12,26H,2-6,8-10H2,1H3,(H,25,28,29)/t11-,12+,19+/m1/s1.
What are the key properties of 5-[(3S)-4,4-difluoropyrrolidin-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-N-methylpyrido[4,3-d]pyrimidin-4-amine?
5-[(3S)-4,4-difluoropyrrolidin-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-N-methylpyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 440.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-4,4-difluoropyrrolidin-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-N-methylpyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 176735274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).