1-[4-[4-[[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone

C19H22N10O — CID 118380638

IUPAC1-[4-[4-[[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(Nc3nc(-c4cnn(C)c4)nc4cn[nH]c34)cn2)CC1
InChIInChI=1S/C19H22N10O/c1-12(30)28-5-3-15(4-6-28)29-11-14(8-22-29)23-19-17-16(9-20-26-17)24-18(25-19)13-7-21-27(2)10-13/h7-11,15H,3-6H2,1-2H3,(H,20,26)(H,23,24,25)
InChIKeyZOKZKURDTPWGOU-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.88
Rot. Bonds4

About 1-[4-[4-[[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone

1-[4-[4-[[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 118380638) has the molecular formula C19H22N10O and a molecular weight of 406.45 g/mol. Its IUPAC name is 1-[4-[4-[[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID118380638
Molecular FormulaC19H22N10O
Molecular Weight406.45 g/mol
Exact Mass406.20
IUPAC Name1-[4-[4-[[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(Nc3nc(-c4cnn(C)c4)nc4cn[nH]c34)cn2)CC1
InChIInChI=1S/C19H22N10O/c1-12(30)28-5-3-15(4-6-28)29-11-14(8-22-29)23-19-17-16(9-20-26-17)24-18(25-19)13-7-21-27(2)10-13/h7-11,15H,3-6H2,1-2H3,(H,20,26)(H,23,24,25)
InChIKeyZOKZKURDTPWGOU-UHFFFAOYSA-N
XLogP1.88
TPSA122.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[4-[4-[[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[4-[[5-(1,3-benzothiazol-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 118380612
N-[3-[7-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-1H-pyrazolo[4,5-d]pyrimidin-5-yl]phenyl]methanesulfonamide
CID 118380588
5-(3-aminophenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90103873
5-(cyclobutadienyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90104553
N-[1-(oxan-4-yl)pyrazol-4-yl]-5-pyridazin-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 118380564
1-[4-[4-[[5-(furan-3-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 90104280
5-cyclobutyl-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90104246
5-(7-bicyclo[4.1.0]heptanyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90104316
1-[4-[4-[[5-(1,3-oxazol-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 70981917
N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide
CID 130377121
1-[4-[4-[[5-(1,3-thiazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 66574833
1-[4-[4-(2-chloropyrimidin-5-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 178082262

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 118380638) is 1-[4-[4-[[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(Nc3nc(-c4cnn(C)c4)nc4cn[nH]c34)cn2)CC1.
What is the InChIKey of 1-[4-[4-[[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is ZOKZKURDTPWGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N10O/c1-12(30)28-5-3-15(4-6-28)29-11-14(8-22-29)23-19-17-16(9-20-26-17)24-18(25-19)13-7-21-27(2)10-13/h7-11,15H,3-6H2,1-2H3,(H,20,26)(H,23,24,25).
What are the key properties of 1-[4-[4-[[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 406.45 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 118380638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).