2-(cyclopropylamino)-8-[3-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]propyl]pyrido[2,3-d]pyrimidin-7-one

C18H21N7O3S — CID 164925610

IUPAC2-(cyclopropylamino)-8-[3-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]propyl]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NC3CC3)nc2n1CCCS(=O)(=O)n1cnc(C2CC2)n1
InChIInChI=1S/C18H21N7O3S/c26-15-7-4-13-10-19-18(21-14-5-6-14)22-17(13)24(15)8-1-9-29(27,28)25-11-20-16(23-25)12-2-3-12/h4,7,10-12,14H,1-3,5-6,8-9H2,(H,19,21,22)
InChIKeyZPSCYLTVBKUDNL-UHFFFAOYSA-N
MW415.48 g/mol
LogP1.10
Rot. Bonds8

About 2-(cyclopropylamino)-8-[3-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]propyl]pyrido[2,3-d]pyrimidin-7-one

2-(cyclopropylamino)-8-[3-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]propyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 164925610) has the molecular formula C18H21N7O3S and a molecular weight of 415.48 g/mol. Its IUPAC name is 2-(cyclopropylamino)-8-[3-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]propyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(cyclopropylamino)-8-[3-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]propyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID164925610
Molecular FormulaC18H21N7O3S
Molecular Weight415.48 g/mol
Exact Mass415.14
IUPAC Name2-(cyclopropylamino)-8-[3-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]propyl]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NC3CC3)nc2n1CCCS(=O)(=O)n1cnc(C2CC2)n1
InChIInChI=1S/C18H21N7O3S/c26-15-7-4-13-10-19-18(21-14-5-6-14)22-17(13)24(15)8-1-9-29(27,28)25-11-20-16(23-25)12-2-3-12/h4,7,10-12,14H,1-3,5-6,8-9H2,(H,19,21,22)
InChIKeyZPSCYLTVBKUDNL-UHFFFAOYSA-N
XLogP1.10
TPSA124.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

8-[3-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]propyl]-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 164925722
8-[3-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]propyl]-6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 164926360
2-(cyclohexylamino)-8-(3-hydroxypropyl)pyrido[2,3-d]pyrimidin-7-one
CID 46188425
N-[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]-2-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]acetamide
CID 164926004
2-(cyclohexylmethylamino)-8-[3-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfanyl]propyl]pyrido[2,3-d]pyrimidin-7-one
CID 164925666
8-[3-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]propyl]-6-(ethoxymethyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 164925555
8-cyclopentyl-2-[[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 166904557
1-methyl-3-[4-[(8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea
CID 122632853
N-[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]-2-[6-(difluoromethyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]acetamide
CID 164925944
2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 118146892
8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 18375181
2-[(1-methylsulfonylpiperidin-4-yl)amino]-8-[[4-[(3-phenyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 164926258

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-8-[3-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]propyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(cyclopropylamino)-8-[3-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]propyl]pyrido[2,3-d]pyrimidin-7-one (CID 164925610) is 2-(cyclopropylamino)-8-[3-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]propyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(cyclopropylamino)-8-[3-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]propyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(cyclopropylamino)-8-[3-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]propyl]pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(NC3CC3)nc2n1CCCS(=O)(=O)n1cnc(C2CC2)n1.
What is the InChIKey of 2-(cyclopropylamino)-8-[3-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]propyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZPSCYLTVBKUDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3S/c26-15-7-4-13-10-19-18(21-14-5-6-14)22-17(13)24(15)8-1-9-29(27,28)25-11-20-16(23-25)12-2-3-12/h4,7,10-12,14H,1-3,5-6,8-9H2,(H,19,21,22).
What are the key properties of 2-(cyclopropylamino)-8-[3-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]propyl]pyrido[2,3-d]pyrimidin-7-one?
2-(cyclopropylamino)-8-[3-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]propyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 415.48 g/mol, XLogP of 1.10, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-8-[3-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]propyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 164925610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).