(7R)-5-(5-fluoropyrimidin-2-yl)-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide

C17H21FN6O2 — CID 124782287

IUPAC(7R)-5-(5-fluoropyrimidin-2-yl)-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESO=C(NCC1CCOCC1)[C@H]1CN(c2ncc(F)cn2)Cc2ccnn21
InChIInChI=1S/C17H21FN6O2/c18-13-8-20-17(21-9-13)23-10-14-1-4-22-24(14)15(11-23)16(25)19-7-12-2-5-26-6-3-12/h1,4,8-9,12,15H,2-3,5-7,10-11H2,(H,19,25)/t15-/m1/s1
InChIKeyQILFGYMWQSRTRN-OAHLLOKOSA-N
MW360.39 g/mol
LogP0.92
Rot. Bonds4

About (7R)-5-(5-fluoropyrimidin-2-yl)-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide

(7R)-5-(5-fluoropyrimidin-2-yl)-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (PubChem CID 124782287) has the molecular formula C17H21FN6O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is (7R)-5-(5-fluoropyrimidin-2-yl)-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(7R)-5-(5-fluoropyrimidin-2-yl)-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
PubChem CID124782287
Molecular FormulaC17H21FN6O2
Molecular Weight360.39 g/mol
Exact Mass360.17
IUPAC Name(7R)-5-(5-fluoropyrimidin-2-yl)-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESO=C(NCC1CCOCC1)[C@H]1CN(c2ncc(F)cn2)Cc2ccnn21
InChIInChI=1S/C17H21FN6O2/c18-13-8-20-17(21-9-13)23-10-14-1-4-22-24(14)15(11-23)16(25)19-7-12-2-5-26-6-3-12/h1,4,8-9,12,15H,2-3,5-7,10-11H2,(H,19,25)/t15-/m1/s1
InChIKeyQILFGYMWQSRTRN-OAHLLOKOSA-N
XLogP0.92
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(6-methoxypyrimidin-4-yl)-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155864316
(5R)-N-(cyclopropylmethyl)-7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 124782068
5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133141619
N-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131645192
N-(cyclopropylmethyl)-5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133142921
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110252079
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 91814073
(3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557148
7-(oxan-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 133137272
N-(oxan-4-ylmethyl)-2-[(7R)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 124794962
2-[5-(5-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(oxan-4-ylmethyl)acetamide
CID 131693559
2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431381

Frequently Asked Questions

What is the IUPAC name of (7R)-5-(5-fluoropyrimidin-2-yl)-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of (7R)-5-(5-fluoropyrimidin-2-yl)-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (CID 124782287) is (7R)-5-(5-fluoropyrimidin-2-yl)-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for (7R)-5-(5-fluoropyrimidin-2-yl)-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for (7R)-5-(5-fluoropyrimidin-2-yl)-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is O=C(NCC1CCOCC1)[C@H]1CN(c2ncc(F)cn2)Cc2ccnn21.
What is the InChIKey of (7R)-5-(5-fluoropyrimidin-2-yl)-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is QILFGYMWQSRTRN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21FN6O2/c18-13-8-20-17(21-9-13)23-10-14-1-4-22-24(14)15(11-23)16(25)19-7-12-2-5-26-6-3-12/h1,4,8-9,12,15H,2-3,5-7,10-11H2,(H,19,25)/t15-/m1/s1.
What are the key properties of (7R)-5-(5-fluoropyrimidin-2-yl)-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
(7R)-5-(5-fluoropyrimidin-2-yl)-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-(5-fluoropyrimidin-2-yl)-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 124782287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).