5-methyl-7-oxo-N-[[(1R,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride

C20H24Cl2N6O3 — CID 171325674

IUPAC5-methyl-7-oxo-N-[[(1R,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride
SMILESCc1cc(=O)n2[nH]cc(C(=O)NC[C@H]3[C@@H]4CNC[C@@H](C4)c4cccc(=O)n43)c2n1.Cl.Cl
InChIInChI=1S/C20H22N6O3.2ClH/c1-11-5-18(28)26-19(24-11)14(9-23-26)20(29)22-10-16-13-6-12(7-21-8-13)15-3-2-4-17(27)25(15)16;;/h2-5,9,12-13,16,21,23H,6-8,10H2,1H3,(H,22,29);2*1H/t12-,13+,16+;;/m1../s1
InChIKeyMRNOWNQYPNADRC-CMWDTKKJSA-N
MW467.36 g/mol
LogP1.01
Rot. Bonds3

About 5-methyl-7-oxo-N-[[(1R,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride

5-methyl-7-oxo-N-[[(1R,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride (PubChem CID 171325674) has the molecular formula C20H24Cl2N6O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is 5-methyl-7-oxo-N-[[(1R,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-methyl-7-oxo-N-[[(1R,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride
PubChem CID171325674
Molecular FormulaC20H24Cl2N6O3
Molecular Weight467.36 g/mol
Exact Mass466.13
IUPAC Name5-methyl-7-oxo-N-[[(1R,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride
SMILESCc1cc(=O)n2[nH]cc(C(=O)NC[C@H]3[C@@H]4CNC[C@@H](C4)c4cccc(=O)n43)c2n1.Cl.Cl
InChIInChI=1S/C20H22N6O3.2ClH/c1-11-5-18(28)26-19(24-11)14(9-23-26)20(29)22-10-16-13-6-12(7-21-8-13)15-3-2-4-17(27)25(15)16;;/h2-5,9,12-13,16,21,23H,6-8,10H2,1H3,(H,22,29);2*1H/t12-,13+,16+;;/m1../s1
InChIKeyMRNOWNQYPNADRC-CMWDTKKJSA-N
XLogP1.01
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.36
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-methyl-7-oxo-N-[[(1R,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-oxo-N-[[(1R,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride?
The IUPAC name of 5-methyl-7-oxo-N-[[(1R,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride (CID 171325674) is 5-methyl-7-oxo-N-[[(1R,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 5-methyl-7-oxo-N-[[(1R,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride?
The canonical SMILES for 5-methyl-7-oxo-N-[[(1R,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride is Cc1cc(=O)n2[nH]cc(C(=O)NC[C@H]3[C@@H]4CNC[C@@H](C4)c4cccc(=O)n43)c2n1.Cl.Cl.
What is the InChIKey of 5-methyl-7-oxo-N-[[(1R,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride?
The InChIKey is MRNOWNQYPNADRC-CMWDTKKJSA-N. The full InChI is InChI=1S/C20H22N6O3.2ClH/c1-11-5-18(28)26-19(24-11)14(9-23-26)20(29)22-10-16-13-6-12(7-21-8-13)15-3-2-4-17(27)25(15)16;;/h2-5,9,12-13,16,21,23H,6-8,10H2,1H3,(H,22,29);2*1H/t12-,13+,16+;;/m1../s1.
What are the key properties of 5-methyl-7-oxo-N-[[(1R,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride?
5-methyl-7-oxo-N-[[(1R,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride has a molecular weight of 467.36 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-oxo-N-[[(1R,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 171325674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).