N-(5-methyl-1H-pyrazol-3-yl)-2-[(1R,4R)-7-methylsulfonyl-2,7-diazabicyclo[2.2.1]heptan-2-yl]pyrido[2,3-d]pyrimidin-4-amine

C17H20N8O2S — CID 11997813

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-[(1R,4R)-7-methylsulfonyl-2,7-diazabicyclo[2.2.1]heptan-2-yl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(N3C[C@H]4CC[C@H]3N4S(C)(=O)=O)nc3ncccc23)n[nH]1
InChIInChI=1S/C17H20N8O2S/c1-10-8-13(23-22-10)19-16-12-4-3-7-18-15(12)20-17(21-16)24-9-11-5-6-14(24)25(11)28(2,26)27/h3-4,7-8,11,14H,5-6,9H2,1-2H3,(H2,18,19,20,21,22,23)/t11-,14-/m1/s1
InChIKeyOMYZKDZBLYGOQA-BXUZGUMPSA-N
MW400.47 g/mol
LogP1.37
Rot. Bonds4

About N-(5-methyl-1H-pyrazol-3-yl)-2-[(1R,4R)-7-methylsulfonyl-2,7-diazabicyclo[2.2.1]heptan-2-yl]pyrido[2,3-d]pyrimidin-4-amine

N-(5-methyl-1H-pyrazol-3-yl)-2-[(1R,4R)-7-methylsulfonyl-2,7-diazabicyclo[2.2.1]heptan-2-yl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11997813) has the molecular formula C17H20N8O2S and a molecular weight of 400.47 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-[(1R,4R)-7-methylsulfonyl-2,7-diazabicyclo[2.2.1]heptan-2-yl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-[(1R,4R)-7-methylsulfonyl-2,7-diazabicyclo[2.2.1]heptan-2-yl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID11997813
Molecular FormulaC17H20N8O2S
Molecular Weight400.47 g/mol
Exact Mass400.14
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-[(1R,4R)-7-methylsulfonyl-2,7-diazabicyclo[2.2.1]heptan-2-yl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(N3C[C@H]4CC[C@H]3N4S(C)(=O)=O)nc3ncccc23)n[nH]1
InChIInChI=1S/C17H20N8O2S/c1-10-8-13(23-22-10)19-16-12-4-3-7-18-15(12)20-17(21-16)24-9-11-5-6-14(24)25(11)28(2,26)27/h3-4,7-8,11,14H,5-6,9H2,1-2H3,(H2,18,19,20,21,22,23)/t11-,14-/m1/s1
InChIKeyOMYZKDZBLYGOQA-BXUZGUMPSA-N
XLogP1.37
TPSA120.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(5-methyl-1H-pyrazol-3-yl)-2-[(1R,4R)-7-methylsulfonyl-2,7-diazabicyclo[2.2.1]heptan-2-yl]pyrido[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 118720614
5-fluoro-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25103279
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(3-methylimidazol-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706316
N-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine
CID 58177333
N-[(3S)-1-propylsulfonylpiperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine
CID 58177348
N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine
CID 58177364
4-[(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1H-pyrazolo[3,4-b]pyridine
CID 118720616
2-methyl-N-[4-[(3-pyridin-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclohexyl]propane-1-sulfonamide
CID 155545701
N-(3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-((4-(methylsulfonyl)piperazin-1-yl)methyl)pyridin-2-yl)-1H-indazol-4-amine
CID 49784990
4-methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(1H-pyrazol-5-ylamino)-3-pyridinyl]-1,3,5-triazin-2-amine
CID 59548273
4-methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(1H-pyrazol-4-ylamino)-3-pyridinyl]-1,3,5-triazin-2-amine
CID 59548300
N-[[3-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenyl]methyl]methanesulfonamide
CID 137088728

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-[(1R,4R)-7-methylsulfonyl-2,7-diazabicyclo[2.2.1]heptan-2-yl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-[(1R,4R)-7-methylsulfonyl-2,7-diazabicyclo[2.2.1]heptan-2-yl]pyrido[2,3-d]pyrimidin-4-amine (CID 11997813) is N-(5-methyl-1H-pyrazol-3-yl)-2-[(1R,4R)-7-methylsulfonyl-2,7-diazabicyclo[2.2.1]heptan-2-yl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2-[(1R,4R)-7-methylsulfonyl-2,7-diazabicyclo[2.2.1]heptan-2-yl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-[(1R,4R)-7-methylsulfonyl-2,7-diazabicyclo[2.2.1]heptan-2-yl]pyrido[2,3-d]pyrimidin-4-amine is Cc1cc(Nc2nc(N3C[C@H]4CC[C@H]3N4S(C)(=O)=O)nc3ncccc23)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-[(1R,4R)-7-methylsulfonyl-2,7-diazabicyclo[2.2.1]heptan-2-yl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is OMYZKDZBLYGOQA-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H20N8O2S/c1-10-8-13(23-22-10)19-16-12-4-3-7-18-15(12)20-17(21-16)24-9-11-5-6-14(24)25(11)28(2,26)27/h3-4,7-8,11,14H,5-6,9H2,1-2H3,(H2,18,19,20,21,22,23)/t11-,14-/m1/s1.
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-[(1R,4R)-7-methylsulfonyl-2,7-diazabicyclo[2.2.1]heptan-2-yl]pyrido[2,3-d]pyrimidin-4-amine?
N-(5-methyl-1H-pyrazol-3-yl)-2-[(1R,4R)-7-methylsulfonyl-2,7-diazabicyclo[2.2.1]heptan-2-yl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 400.47 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-[(1R,4R)-7-methylsulfonyl-2,7-diazabicyclo[2.2.1]heptan-2-yl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11997813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).