[(6R)-6-methyl-2-(1H-pyrazol-5-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1,2,3-trimethyl-3-methylsulfanylpiperidin-4-yl]methanone

C22H33N7OS — CID 163219526

IUPAC[(6R)-6-methyl-2-(1H-pyrazol-5-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1,2,3-trimethyl-3-methylsulfanylpiperidin-4-yl]methanone
SMILESCS[C@@]1(C)C(C)N(C)CC[C@H]1C(=O)N1Cc2nc(NCc3ccn[nH]3)ncc2C[C@H]1C
InChIInChI=1S/C22H33N7OS/c1-14-10-16-11-23-21(24-12-17-6-8-25-27-17)26-19(16)13-29(14)20(30)18-7-9-28(4)15(2)22(18,3)31-5/h6,8,11,14-15,18H,7,9-10,12-13H2,1-5H3,(H,25,27)(H,23,24,26)/t14-,15?,18+,22+/m1/s1
InChIKeyHJGXPURXKIBMJK-YOAPCNRRSA-N
MW443.62 g/mol
LogP2.55
Rot. Bonds5

About [(6R)-6-methyl-2-(1H-pyrazol-5-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1,2,3-trimethyl-3-methylsulfanylpiperidin-4-yl]methanone

[(6R)-6-methyl-2-(1H-pyrazol-5-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1,2,3-trimethyl-3-methylsulfanylpiperidin-4-yl]methanone (PubChem CID 163219526) has the molecular formula C22H33N7OS and a molecular weight of 443.62 g/mol. Its IUPAC name is [(6R)-6-methyl-2-(1H-pyrazol-5-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1,2,3-trimethyl-3-methylsulfanylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name[(6R)-6-methyl-2-(1H-pyrazol-5-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1,2,3-trimethyl-3-methylsulfanylpiperidin-4-yl]methanone
PubChem CID163219526
Molecular FormulaC22H33N7OS
Molecular Weight443.62 g/mol
Exact Mass443.25
IUPAC Name[(6R)-6-methyl-2-(1H-pyrazol-5-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1,2,3-trimethyl-3-methylsulfanylpiperidin-4-yl]methanone
SMILESCS[C@@]1(C)C(C)N(C)CC[C@H]1C(=O)N1Cc2nc(NCc3ccn[nH]3)ncc2C[C@H]1C
InChIInChI=1S/C22H33N7OS/c1-14-10-16-11-23-21(24-12-17-6-8-25-27-17)26-19(16)13-29(14)20(30)18-7-9-28(4)15(2)22(18,3)31-5/h6,8,11,14-15,18H,7,9-10,12-13H2,1-5H3,(H,25,27)(H,23,24,26)/t14-,15?,18+,22+/m1/s1
InChIKeyHJGXPURXKIBMJK-YOAPCNRRSA-N
XLogP2.55
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.62
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(6R)-6-methyl-2-(1H-pyrazol-5-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1,2,3-trimethyl-3-methylsulfanylpiperidin-4-yl]methanone with MolForge

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Related Compounds

[(6R)-2-(benzylamino)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-3-phenyl-1-(trideuteriomethyl)piperidin-4-yl]methanone
CID 171400775
[(6R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone
CID 163200246
[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]methanone
CID 163200321
[(6R)-2-[(1,5-dimethylpyrazol-4-yl)amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone
CID 163219589
tert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
CID 129400144
[(6R)-2-[(1,3-dimethylpyrazol-4-yl)amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone
CID 171400773
tert-butyl 4-methyl-4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
CID 104956422
tert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
CID 61285481
1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 60976301
[(6R)-6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]methanone
CID 171400759
5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazine-2-carboxamide
CID 47285811
tert-butyl 2-(1H-pyrazol-5-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51095422

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-methyl-2-(1H-pyrazol-5-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1,2,3-trimethyl-3-methylsulfanylpiperidin-4-yl]methanone?
The IUPAC name of [(6R)-6-methyl-2-(1H-pyrazol-5-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1,2,3-trimethyl-3-methylsulfanylpiperidin-4-yl]methanone (CID 163219526) is [(6R)-6-methyl-2-(1H-pyrazol-5-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1,2,3-trimethyl-3-methylsulfanylpiperidin-4-yl]methanone.
What is the SMILES notation for [(6R)-6-methyl-2-(1H-pyrazol-5-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1,2,3-trimethyl-3-methylsulfanylpiperidin-4-yl]methanone?
The canonical SMILES for [(6R)-6-methyl-2-(1H-pyrazol-5-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1,2,3-trimethyl-3-methylsulfanylpiperidin-4-yl]methanone is CS[C@@]1(C)C(C)N(C)CC[C@H]1C(=O)N1Cc2nc(NCc3ccn[nH]3)ncc2C[C@H]1C.
What is the InChIKey of [(6R)-6-methyl-2-(1H-pyrazol-5-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1,2,3-trimethyl-3-methylsulfanylpiperidin-4-yl]methanone?
The InChIKey is HJGXPURXKIBMJK-YOAPCNRRSA-N. The full InChI is InChI=1S/C22H33N7OS/c1-14-10-16-11-23-21(24-12-17-6-8-25-27-17)26-19(16)13-29(14)20(30)18-7-9-28(4)15(2)22(18,3)31-5/h6,8,11,14-15,18H,7,9-10,12-13H2,1-5H3,(H,25,27)(H,23,24,26)/t14-,15?,18+,22+/m1/s1.
What are the key properties of [(6R)-6-methyl-2-(1H-pyrazol-5-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1,2,3-trimethyl-3-methylsulfanylpiperidin-4-yl]methanone?
[(6R)-6-methyl-2-(1H-pyrazol-5-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1,2,3-trimethyl-3-methylsulfanylpiperidin-4-yl]methanone has a molecular weight of 443.62 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-methyl-2-(1H-pyrazol-5-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1,2,3-trimethyl-3-methylsulfanylpiperidin-4-yl]methanone is sourced from PubChem (CID 163219526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).