4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

C24H33N5O2 — CID 147127954

IUPAC4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
SMILESCCC[C@@H](C)Oc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)CC(=O)C2
InChIInChI=1S/C24H33N5O2/c1-3-6-17(2)31-24-26-22(25)21-13-20(30)16-29(23(21)27-24)15-19-9-7-18(8-10-19)14-28-11-4-5-12-28/h7-10,17H,3-6,11-16H2,1-2H3,(H2,25,26,27)/t17-/m1/s1
InChIKeyBPQMNYSYKQQDBU-QGZVFWFLSA-N
MW423.56 g/mol
LogP3.35
Rot. Bonds8

About 4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (PubChem CID 147127954) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
PubChem CID147127954
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
SMILESCCC[C@@H](C)Oc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)CC(=O)C2
InChIInChI=1S/C24H33N5O2/c1-3-6-17(2)31-24-26-22(25)21-13-20(30)16-29(23(21)27-24)15-19-9-7-18(8-10-19)14-28-11-4-5-12-28/h7-10,17H,3-6,11-16H2,1-2H3,(H2,25,26,27)/t17-/m1/s1
InChIKeyBPQMNYSYKQQDBU-QGZVFWFLSA-N
XLogP3.35
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one 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-Amino-2-butoxy-8-[4-(1-pyrrolidinylmethyl)benzyl]-7,8-dihydro-6(5H)-pteridinone
CID 46207830
4-amino-2-butoxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridine-6,7-dione
CID 46240836
4-Amino-2-butoxy-7-methyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
CID 46240529
4-Amino-2-butoxy-7-methyl-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
CID 46240530
4-amino-2-[(2S)-pentan-2-yl]oxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
CID 46241167
4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5H-pteridine-7,1'-cyclopropane]-6-one
CID 59359800
4-Amino-2-butoxy-8-methyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
CID 73334261
4-amino-7-[[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58130020
4-Amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
CID 157609015
4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one
CID 158175017
2-Butoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
CID 161079174
4-Amino-2-butoxy-8-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-5,7-dihydropteridin-6-one
CID 46240737

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (CID 147127954) is 4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is CCC[C@@H](C)Oc1nc(N)c2c(n1)N(Cc1ccc(CN3CCCC3)cc1)CC(=O)C2.
What is the InChIKey of 4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
The InChIKey is BPQMNYSYKQQDBU-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-3-6-17(2)31-24-26-22(25)21-13-20(30)16-29(23(21)27-24)15-19-9-7-18(8-10-19)14-28-11-4-5-12-28/h7-10,17H,3-6,11-16H2,1-2H3,(H2,25,26,27)/t17-/m1/s1.
What are the key properties of 4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one has a molecular weight of 423.56 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2R)-pentan-2-yl]oxy-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 147127954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).