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

C18H19N7O2 — CID 131638420

IUPAC5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCOc1cc(N2Cc3ccnn3C(C(=O)NCc3ccccn3)C2)ncn1
InChIInChI=1S/C18H19N7O2/c1-27-17-8-16(21-12-22-17)24-10-14-5-7-23-25(14)15(11-24)18(26)20-9-13-4-2-3-6-19-13/h2-8,12,15H,9-11H2,1H3,(H,20,26)
InChIKeyPMLNKVXXKBLZQY-UHFFFAOYSA-N
MW365.40 g/mol
LogP0.95
Rot. Bonds5

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

5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (PubChem CID 131638420) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
PubChem CID131638420
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCOc1cc(N2Cc3ccnn3C(C(=O)NCc3ccccn3)C2)ncn1
InChIInChI=1S/C18H19N7O2/c1-27-17-8-16(21-12-22-17)24-10-14-5-7-23-25(14)15(11-24)18(26)20-9-13-4-2-3-6-19-13/h2-8,12,15H,9-11H2,1H3,(H,20,26)
InChIKeyPMLNKVXXKBLZQY-UHFFFAOYSA-N
XLogP0.95
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
5-(3-methylbutanoyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155860095
5-(3-hydroxybenzoyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155863575
1-(2-methoxypyridine-4-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 56884685
(4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851331
3-(4-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42745306
(2R,3aR,7aR)-6-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124813109
2-[5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 131693706
1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110687259
2-[(4-hydroxy-3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 51361975
N-cyclobutyl-5-[(2-methoxy-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131655766
1-N-(4-methylphenyl)-4-(pyridine-2-carbonyl)-3-N-(pyridin-2-ylmethyl)piperazine-1,3-dicarboxamide
CID 134085273

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (CID 131638420) is 5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is COc1cc(N2Cc3ccnn3C(C(=O)NCc3ccccn3)C2)ncn1.
What is the InChIKey of 5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is PMLNKVXXKBLZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-27-17-8-16(21-12-22-17)24-10-14-5-7-23-25(14)15(11-24)18(26)20-9-13-4-2-3-6-19-13/h2-8,12,15H,9-11H2,1H3,(H,20,26).
What are the key properties of 5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 131638420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).