7-(methylamino)-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H18N10O2 — CID 137449127

IUPAC7-(methylamino)-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(C)nn(-c3cnn(C)c3)c2=O)nc2c(C(N)=O)cnn12
InChIInChI=1S/C17H18N10O2/c1-9-4-12(17(29)26(24-9)10-6-20-25(3)8-10)22-13-5-14(19-2)27-16(23-13)11(7-21-27)15(18)28/h4-8,19H,1-3H3,(H2,18,28)(H,22,23)
InChIKeyCXJPKQYXZOPMRU-UHFFFAOYSA-N
MW394.40 g/mol
LogP0.20
Rot. Bonds5

About 7-(methylamino)-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(methylamino)-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449127) has the molecular formula C17H18N10O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 7-(methylamino)-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(methylamino)-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449127
Molecular FormulaC17H18N10O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name7-(methylamino)-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(C)nn(-c3cnn(C)c3)c2=O)nc2c(C(N)=O)cnn12
InChIInChI=1S/C17H18N10O2/c1-9-4-12(17(29)26(24-9)10-6-20-25(3)8-10)22-13-5-14(19-2)27-16(23-13)11(7-21-27)15(18)28/h4-8,19H,1-3H3,(H2,18,28)(H,22,23)
InChIKeyCXJPKQYXZOPMRU-UHFFFAOYSA-N
XLogP0.20
TPSA150.05 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.40
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Related Compounds

5-{[(1r,2s)-2-Aminocyclohexyl]amino}-N-[1-Methyl-3-(Trifluoromethyl)-1h-Pyrazol-4-Yl]pyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 122181630
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181640
US10155765, Example 31
CID 121493987
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181626
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181631
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122196169
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122196173
US10329294, Example 90
CID 122516506
N-cyclopropyl-6-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 155523586
N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181591
5-(3-aminopropyl)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181592
5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181594

Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(methylamino)-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449127) is 7-(methylamino)-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(methylamino)-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(methylamino)-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(C)nn(-c3cnn(C)c3)c2=O)nc2c(C(N)=O)cnn12.
What is the InChIKey of 7-(methylamino)-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CXJPKQYXZOPMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N10O2/c1-9-4-12(17(29)26(24-9)10-6-20-25(3)8-10)22-13-5-14(19-2)27-16(23-13)11(7-21-27)15(18)28/h4-8,19H,1-3H3,(H2,18,28)(H,22,23).
What are the key properties of 7-(methylamino)-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(methylamino)-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).