8-(cyclopropylmethyl)-4-methyl-2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C21H31N5O3S — CID 110261011

IUPAC8-(cyclopropylmethyl)-4-methyl-2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCCN(S(=O)(=O)N3CCCC3)C2)nc2c1CCC(=O)N2CC1CC1
InChIInChI=1S/C21H31N5O3S/c1-15-18-8-9-19(27)26(13-16-6-7-16)21(18)23-20(22-15)17-5-4-12-25(14-17)30(28,29)24-10-2-3-11-24/h16-17H,2-14H2,1H3
InChIKeyHLMIEKNUUPEZEL-UHFFFAOYSA-N
MW433.58 g/mol
LogP1.99
Rot. Bonds5

About 8-(cyclopropylmethyl)-4-methyl-2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-(cyclopropylmethyl)-4-methyl-2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 110261011) has the molecular formula C21H31N5O3S and a molecular weight of 433.58 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-4-methyl-2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-4-methyl-2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID110261011
Molecular FormulaC21H31N5O3S
Molecular Weight433.58 g/mol
Exact Mass433.21
IUPAC Name8-(cyclopropylmethyl)-4-methyl-2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCCN(S(=O)(=O)N3CCCC3)C2)nc2c1CCC(=O)N2CC1CC1
InChIInChI=1S/C21H31N5O3S/c1-15-18-8-9-19(27)26(13-16-6-7-16)21(18)23-20(22-15)17-5-4-12-25(14-17)30(28,29)24-10-2-3-11-24/h16-17H,2-14H2,1H3
InChIKeyHLMIEKNUUPEZEL-UHFFFAOYSA-N
XLogP1.99
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(cyclopropylmethyl)-2-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261130
N-[2-[(3R)-3-[8-(cyclopropylmethyl)-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 92630165
8-(cyclopropylmethyl)-2-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95831238
8-(cyclohexylmethyl)-2-[1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127252287
8-(cyclohexylmethyl)-2-[(3S)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 125014355
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(3S)-1-methylsulfonylpiperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629310
2-[(2R)-1-cyclopentylpiperidin-2-yl]-8-(cyclopropylmethyl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629990
N-[2-[(3S)-3-[8-(cyclohexylmethyl)-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 92618743
2-(1-ethylsulfonylpiperidin-3-yl)-8-[(2-fluorophenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261132
N-[2-[(3R)-3-[8-(cyclohexylmethyl)-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 92618742
8-(cyclopropylmethyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261023
8-(cyclohexylmethyl)-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268560

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-4-methyl-2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(cyclopropylmethyl)-4-methyl-2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 110261011) is 8-(cyclopropylmethyl)-4-methyl-2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(cyclopropylmethyl)-4-methyl-2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(cyclopropylmethyl)-4-methyl-2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCCN(S(=O)(=O)N3CCCC3)C2)nc2c1CCC(=O)N2CC1CC1.
What is the InChIKey of 8-(cyclopropylmethyl)-4-methyl-2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HLMIEKNUUPEZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3S/c1-15-18-8-9-19(27)26(13-16-6-7-16)21(18)23-20(22-15)17-5-4-12-25(14-17)30(28,29)24-10-2-3-11-24/h16-17H,2-14H2,1H3.
What are the key properties of 8-(cyclopropylmethyl)-4-methyl-2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-(cyclopropylmethyl)-4-methyl-2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 433.58 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-4-methyl-2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 110261011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).