2-(dimethylamino)-1-[(2S)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

C24H33N5O2 — CID 95833700

IUPAC2-(dimethylamino)-1-[(2S)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCOc1ccccc1CN1CCCc2c(C)nc([C@@H]3CCCN3C(=O)CN(C)C)nc21
InChIInChI=1S/C24H33N5O2/c1-17-19-10-7-13-28(15-18-9-5-6-12-21(18)31-4)24(19)26-23(25-17)20-11-8-14-29(20)22(30)16-27(2)3/h5-6,9,12,20H,7-8,10-11,13-16H2,1-4H3/t20-/m0/s1
InChIKeyODKSWTITWBPPDQ-FQEVSTJZSA-N
MW423.56 g/mol
LogP2.97
Rot. Bonds6

About 2-(dimethylamino)-1-[(2S)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

2-(dimethylamino)-1-[(2S)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 95833700) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[(2S)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[(2S)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID95833700
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name2-(dimethylamino)-1-[(2S)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCOc1ccccc1CN1CCCc2c(C)nc([C@@H]3CCCN3C(=O)CN(C)C)nc21
InChIInChI=1S/C24H33N5O2/c1-17-19-10-7-13-28(15-18-9-5-6-12-21(18)31-4)24(19)26-23(25-17)20-11-8-14-29(20)22(30)16-27(2)3/h5-6,9,12,20H,7-8,10-11,13-16H2,1-4H3/t20-/m0/s1
InChIKeyODKSWTITWBPPDQ-FQEVSTJZSA-N
XLogP2.97
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-1-[(2S)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[(2S)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[(2S)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (CID 95833700) is 2-(dimethylamino)-1-[(2S)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[(2S)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[(2S)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is COc1ccccc1CN1CCCc2c(C)nc([C@@H]3CCCN3C(=O)CN(C)C)nc21.
What is the InChIKey of 2-(dimethylamino)-1-[(2S)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is ODKSWTITWBPPDQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-17-19-10-7-13-28(15-18-9-5-6-12-21(18)31-4)24(19)26-23(25-17)20-11-8-14-29(20)22(30)16-27(2)3/h5-6,9,12,20H,7-8,10-11,13-16H2,1-4H3/t20-/m0/s1.
What are the key properties of 2-(dimethylamino)-1-[(2S)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
2-(dimethylamino)-1-[(2S)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 423.56 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[(2S)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95833700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).