2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;3-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-8-amine

C33H49FN6O — CID 169145841

IUPAC2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;3-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-8-amine
SMILESCC12CCCN1CC(F)C2.CCCc1ccccc1C1Cc2nc(OC)nc(N3CC4CCC(C3)C4N)c2CN1C
InChIInChI=1S/C25H35N5O.C8H14FN/c1-4-7-16-8-5-6-9-19(16)22-12-21-20(15-29(22)2)24(28-25(27-21)31-3)30-13-17-10-11-18(14-30)23(17)26;1-8-3-2-4-10(8)6-7(9)5-8/h5-6,8-9,17-18,22-23H,4,7,10-15,26H2,1-3H3;7H,2-6H2,1H3
InChIKeyUTIKTEFMFJGDGN-UHFFFAOYSA-N
MW564.79 g/mol
LogP4.92
Rot. Bonds5

About 2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;3-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-8-amine

2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;3-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 169145841) has the molecular formula C33H49FN6O and a molecular weight of 564.79 g/mol. Its IUPAC name is 2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;3-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;3-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-8-amine
PubChem CID169145841
Molecular FormulaC33H49FN6O
Molecular Weight564.79 g/mol
Exact Mass564.40
IUPAC Name2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;3-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-8-amine
SMILESCC12CCCN1CC(F)C2.CCCc1ccccc1C1Cc2nc(OC)nc(N3CC4CCC(C3)C4N)c2CN1C
InChIInChI=1S/C25H35N5O.C8H14FN/c1-4-7-16-8-5-6-9-19(16)22-12-21-20(15-29(22)2)24(28-25(27-21)31-3)30-13-17-10-11-18(14-30)23(17)26;1-8-3-2-4-10(8)6-7(9)5-8/h5-6,8-9,17-18,22-23H,4,7,10-15,26H2,1-3H3;7H,2-6H2,1H3
InChIKeyUTIKTEFMFJGDGN-UHFFFAOYSA-N
XLogP4.92
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.79
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;3-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-8-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

4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-7-[2-fluoro-6-(trifluoromethyl)phenyl]-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine
CID 163222719
[(1R,5S)-3-[(4S)-2'-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6'-methylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,8-dihydropyrido[4,3-d]pyrimidine]-4'-yl]-3-azabicyclo[3.2.1]octan-8-yl]cyanamide
CID 169145337
(4S)-4'-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2'-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6'-methylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,8-dihydropyrido[4,3-d]pyrimidine]
CID 169145502
(5S)-3-[(4S)-2'-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6'-methylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,8-dihydropyrido[4,3-d]pyrimidine]-4'-yl]-3-azabicyclo[3.2.1]octan-8-amine
CID 169145649
(1R,5S)-3-[(4S)-2'-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6'-methylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,8-dihydropyrido[4,3-d]pyrimidine]-4'-yl]-3-azabicyclo[3.2.1]octan-8-amine
CID 170224141
2-[(2S)-4-[4-fluoro-2'-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6'-methylspiro[1,2-dihydroindene-3,7'-5,8-dihydropyrido[4,3-d]pyrimidine]-4'-yl]piperazin-2-yl]acetonitrile
CID 170367155
(1R,5S)-3-[(4S)-2'-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6'-methylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,8-dihydropyrido[4,3-d]pyrimidine]-4'-yl]-N-isocyano-3-azabicyclo[3.2.1]octan-8-amine
CID 170523921
(4S)-4'-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2'-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6'-methylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,8-dihydropyrido[4,3-d]pyrimidine]
CID 176703694
(1R,5S)-3-[(4S)-2'-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6'-methylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,8-dihydropyrido[4,3-d]pyrimidine]-4'-yl]-3-azabicyclo[3.2.1]octan-8-amine
CID 176703998
(1R,5S)-3-[(4S)-2'-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6'-methylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,8-dihydropyrido[4,3-d]pyrimidine]-4'-yl]-3-azabicyclo[3.2.1]octan-8-amine
CID 176704164
(4S)-4'-[(5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2'-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6'-methylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,8-dihydropyrido[4,3-d]pyrimidine]
CID 176704432
4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-7-[2-(difluoromethyl)phenyl]-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dimethyl-5H-pyrido[4,3-d]pyrimidine
CID 177953795

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;3-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of 2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;3-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-8-amine (CID 169145841) is 2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;3-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for 2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;3-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for 2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;3-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-8-amine is CC12CCCN1CC(F)C2.CCCc1ccccc1C1Cc2nc(OC)nc(N3CC4CCC(C3)C4N)c2CN1C.
What is the InChIKey of 2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;3-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is UTIKTEFMFJGDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O.C8H14FN/c1-4-7-16-8-5-6-9-19(16)22-12-21-20(15-29(22)2)24(28-25(27-21)31-3)30-13-17-10-11-18(14-30)23(17)26;1-8-3-2-4-10(8)6-7(9)5-8/h5-6,8-9,17-18,22-23H,4,7,10-15,26H2,1-3H3;7H,2-6H2,1H3.
What are the key properties of 2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;3-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-8-amine?
2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;3-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 564.79 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;3-[2-methoxy-6-methyl-7-(2-propylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-azabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 169145841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).