7-[4-(1-ethylpiperidin-4-yl)-3-methylphenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one

C26H33N5O2 — CID 66959363

IUPAC7-[4-(1-ethylpiperidin-4-yl)-3-methylphenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
SMILESCCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@@H]4CCOC4)n3)cc2C)CC1
InChIInChI=1S/C26H33N5O2/c1-4-31-10-7-18(8-11-31)21-6-5-19(13-17(21)2)22-14-23-24(26(32)30(3)16-27-23)25(29-22)28-20-9-12-33-15-20/h5-6,13-14,16,18,20H,4,7-12,15H2,1-3H3,(H,28,29)/t20-/m1/s1
InChIKeyRIMKYQSVJIIAAI-HXUWFJFHSA-N
MW447.58 g/mol
LogP3.70
Rot. Bonds5

About 7-[4-(1-ethylpiperidin-4-yl)-3-methylphenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one

7-[4-(1-ethylpiperidin-4-yl)-3-methylphenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959363) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 7-[4-(1-ethylpiperidin-4-yl)-3-methylphenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-(1-ethylpiperidin-4-yl)-3-methylphenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959363
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name7-[4-(1-ethylpiperidin-4-yl)-3-methylphenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
SMILESCCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@@H]4CCOC4)n3)cc2C)CC1
InChIInChI=1S/C26H33N5O2/c1-4-31-10-7-18(8-11-31)21-6-5-19(13-17(21)2)22-14-23-24(26(32)30(3)16-27-23)25(29-22)28-20-9-12-33-15-20/h5-6,13-14,16,18,20H,4,7-12,15H2,1-3H3,(H,28,29)/t20-/m1/s1
InChIKeyRIMKYQSVJIIAAI-HXUWFJFHSA-N
XLogP3.70
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-[4-(1-ethylpiperidin-4-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 77211633
7-[4-(1-ethylazetidin-3-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 77211595
7-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
CID 66958997
7-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66959326
7-[4-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
CID 66959684
7-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylsulfonylphenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
CID 66959387
5-(ethylamino)-7-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959502
5-(cyclopropylamino)-3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)pyrido[4,3-d]pyrimidin-4-one
CID 66892160
5-(cyclopropylamino)-3-methyl-7-[4-[2-(4-methylpiperazin-1-yl)ethylamino]-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one
CID 50923268
5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959853
5-(cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959740
4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide
CID 66959397

Frequently Asked Questions

What is the IUPAC name of 7-[4-(1-ethylpiperidin-4-yl)-3-methylphenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-[4-(1-ethylpiperidin-4-yl)-3-methylphenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one (CID 66959363) is 7-[4-(1-ethylpiperidin-4-yl)-3-methylphenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-[4-(1-ethylpiperidin-4-yl)-3-methylphenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[4-(1-ethylpiperidin-4-yl)-3-methylphenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one is CCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@@H]4CCOC4)n3)cc2C)CC1.
What is the InChIKey of 7-[4-(1-ethylpiperidin-4-yl)-3-methylphenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is RIMKYQSVJIIAAI-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-4-31-10-7-18(8-11-31)21-6-5-19(13-17(21)2)22-14-23-24(26(32)30(3)16-27-23)25(29-22)28-20-9-12-33-15-20/h5-6,13-14,16,18,20H,4,7-12,15H2,1-3H3,(H,28,29)/t20-/m1/s1.
What are the key properties of 7-[4-(1-ethylpiperidin-4-yl)-3-methylphenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one?
7-[4-(1-ethylpiperidin-4-yl)-3-methylphenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 447.58 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1-ethylpiperidin-4-yl)-3-methylphenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).