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

C20H27ClN6O3 — CID 171708555

IUPAC2-methyl-7-oxo-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride
SMILESCc1cc2ncc(C(=O)NC[C@H]3[C@@H]4CNC[C@@H](C4)[C@@H]4CCCC(=O)N43)c(=O)n2[nH]1.Cl
InChIInChI=1S/C20H26N6O3.ClH/c1-11-5-17-22-9-14(20(29)26(17)24-11)19(28)23-10-16-13-6-12(7-21-8-13)15-3-2-4-18(27)25(15)16;/h5,9,12-13,15-16,21,24H,2-4,6-8,10H2,1H3,(H,23,28);1H/t12-,13+,15+,16+;/m1./s1
InChIKeyXARJGXURJYZFNO-MZKKJLKXSA-N
MW434.93 g/mol
LogP0.47
Rot. Bonds3

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

2-methyl-7-oxo-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride (PubChem CID 171708555) has the molecular formula C20H27ClN6O3 and a molecular weight of 434.93 g/mol. Its IUPAC name is 2-methyl-7-oxo-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-7-oxo-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride
PubChem CID171708555
Molecular FormulaC20H27ClN6O3
Molecular Weight434.93 g/mol
Exact Mass434.18
IUPAC Name2-methyl-7-oxo-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride
SMILESCc1cc2ncc(C(=O)NC[C@H]3[C@@H]4CNC[C@@H](C4)[C@@H]4CCCC(=O)N43)c(=O)n2[nH]1.Cl
InChIInChI=1S/C20H26N6O3.ClH/c1-11-5-17-22-9-14(20(29)26(17)24-11)19(28)23-10-16-13-6-12(7-21-8-13)15-3-2-4-18(27)25(15)16;/h5,9,12-13,15-16,21,24H,2-4,6-8,10H2,1H3,(H,23,28);1H/t12-,13+,15+,16+;/m1./s1
InChIKeyXARJGXURJYZFNO-MZKKJLKXSA-N
XLogP0.47
TPSA111.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-oxo-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride?
The IUPAC name of 2-methyl-7-oxo-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride (CID 171708555) is 2-methyl-7-oxo-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride.
What is the SMILES notation for 2-methyl-7-oxo-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride?
The canonical SMILES for 2-methyl-7-oxo-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride is Cc1cc2ncc(C(=O)NC[C@H]3[C@@H]4CNC[C@@H](C4)[C@@H]4CCCC(=O)N43)c(=O)n2[nH]1.Cl.
What is the InChIKey of 2-methyl-7-oxo-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride?
The InChIKey is XARJGXURJYZFNO-MZKKJLKXSA-N. The full InChI is InChI=1S/C20H26N6O3.ClH/c1-11-5-17-22-9-14(20(29)26(17)24-11)19(28)23-10-16-13-6-12(7-21-8-13)15-3-2-4-18(27)25(15)16;/h5,9,12-13,15-16,21,24H,2-4,6-8,10H2,1H3,(H,23,28);1H/t12-,13+,15+,16+;/m1./s1.
What are the key properties of 2-methyl-7-oxo-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride?
2-methyl-7-oxo-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride has a molecular weight of 434.93 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-oxo-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride is sourced from PubChem (CID 171708555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).