[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]methanone

C17H21FN6O2 — CID 146115415

IUPAC[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]methanone
SMILESC[C@@H]1Cc2c(C(=O)N3CCN(c4ncc(F)cn4)CC3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C17H21FN6O2/c1-10-7-13-14(11(2)26-10)21-22-15(13)16(25)23-3-5-24(6-4-23)17-19-8-12(18)9-20-17/h8-11H,3-7H2,1-2H3,(H,21,22)/t10-,11+/m1/s1
InChIKeyRWECMNOJFRESNT-MNOVXSKESA-N
MW360.39 g/mol
LogP1.32
Rot. Bonds2

About [(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]methanone

[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]methanone (PubChem CID 146115415) has the molecular formula C17H21FN6O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is [(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]methanone
PubChem CID146115415
Molecular FormulaC17H21FN6O2
Molecular Weight360.39 g/mol
Exact Mass360.17
IUPAC Name[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]methanone
SMILESC[C@@H]1Cc2c(C(=O)N3CCN(c4ncc(F)cn4)CC3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C17H21FN6O2/c1-10-7-13-14(11(2)26-10)21-22-15(13)16(25)23-3-5-24(6-4-23)17-19-8-12(18)9-20-17/h8-11H,3-7H2,1-2H3,(H,21,22)/t10-,11+/m1/s1
InChIKeyRWECMNOJFRESNT-MNOVXSKESA-N
XLogP1.32
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

methyl 5-(4-methylpyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 72900223
3-[(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)carbonyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 91844186
tert-butyl 4-[4-(3-ethoxycarbonyl-5-methyl-1H-pyrazol-4-yl)-5-fluoropyrimidin-2-yl]piperazine-1-carboxylate
CID 166859664
4-[4-(3-ethoxycarbonyl-5-methyl-1H-pyrazol-4-yl)-5-fluoropyrimidin-2-yl]piperazine-1-carboxylic acid
CID 169733659
ethyl 4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)-5-methyl-1H-pyrazole-3-carboxylate
CID 169931962
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methanone
CID 145910809
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(5-fluoro-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 145910816
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]methanone
CID 145910871
(5R,7S)-N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 145911103
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 145911113
[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146093457
[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146093473

Frequently Asked Questions

What is the IUPAC name of [(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]methanone (CID 146115415) is [(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]methanone is C[C@@H]1Cc2c(C(=O)N3CCN(c4ncc(F)cn4)CC3)n[nH]c2[C@H](C)O1.
What is the InChIKey of [(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]methanone?
The InChIKey is RWECMNOJFRESNT-MNOVXSKESA-N. The full InChI is InChI=1S/C17H21FN6O2/c1-10-7-13-14(11(2)26-10)21-22-15(13)16(25)23-3-5-24(6-4-23)17-19-8-12(18)9-20-17/h8-11H,3-7H2,1-2H3,(H,21,22)/t10-,11+/m1/s1.
What are the key properties of [(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]methanone?
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]methanone has a molecular weight of 360.39 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 146115415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).