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

C25H35N5O2 — CID 95833702

IUPAC2-(dimethylamino)-1-[(2S)-2-[8-[2-(2-methoxyphenyl)ethyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCOc1ccccc1CCN1CCCc2c(C)nc([C@@H]3CCCN3C(=O)CN(C)C)nc21
InChIInChI=1S/C25H35N5O2/c1-18-20-10-7-14-29(16-13-19-9-5-6-12-22(19)32-4)25(20)27-24(26-18)21-11-8-15-30(21)23(31)17-28(2)3/h5-6,9,12,21H,7-8,10-11,13-17H2,1-4H3/t21-/m0/s1
InChIKeyPRONARAISMDZSI-NRFANRHFSA-N
MW437.59 g/mol
LogP3.01
Rot. Bonds7

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

2-(dimethylamino)-1-[(2S)-2-[8-[2-(2-methoxyphenyl)ethyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 95833702) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[(2S)-2-[8-[2-(2-methoxyphenyl)ethyl]-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-(2-methoxyphenyl)ethyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID95833702
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name2-(dimethylamino)-1-[(2S)-2-[8-[2-(2-methoxyphenyl)ethyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCOc1ccccc1CCN1CCCc2c(C)nc([C@@H]3CCCN3C(=O)CN(C)C)nc21
InChIInChI=1S/C25H35N5O2/c1-18-20-10-7-14-29(16-13-19-9-5-6-12-22(19)32-4)25(20)27-24(26-18)21-11-8-15-30(21)23(31)17-28(2)3/h5-6,9,12,21H,7-8,10-11,13-17H2,1-4H3/t21-/m0/s1
InChIKeyPRONARAISMDZSI-NRFANRHFSA-N
XLogP3.01
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-1-[(2S)-2-[8-[2-(2-methoxyphenyl)ethyl]-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-(2-methoxyphenyl)ethyl]-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-(2-methoxyphenyl)ethyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (CID 95833702) is 2-(dimethylamino)-1-[(2S)-2-[8-[2-(2-methoxyphenyl)ethyl]-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-(2-methoxyphenyl)ethyl]-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-(2-methoxyphenyl)ethyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is COc1ccccc1CCN1CCCc2c(C)nc([C@@H]3CCCN3C(=O)CN(C)C)nc21.
What is the InChIKey of 2-(dimethylamino)-1-[(2S)-2-[8-[2-(2-methoxyphenyl)ethyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is PRONARAISMDZSI-NRFANRHFSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-18-20-10-7-14-29(16-13-19-9-5-6-12-22(19)32-4)25(20)27-24(26-18)21-11-8-15-30(21)23(31)17-28(2)3/h5-6,9,12,21H,7-8,10-11,13-17H2,1-4H3/t21-/m0/s1.
What are the key properties of 2-(dimethylamino)-1-[(2S)-2-[8-[2-(2-methoxyphenyl)ethyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
2-(dimethylamino)-1-[(2S)-2-[8-[2-(2-methoxyphenyl)ethyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 437.59 g/mol, XLogP of 3.01, 7 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-(2-methoxyphenyl)ethyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95833702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).