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

C20H30Cl2N6O2 — CID 171325795

IUPACN-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-5-methyl-7-oxo-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)[C@@H]4CCCCN43)c2n1.Cl.Cl
InChIInChI=1S/C20H28N6O2.2ClH/c1-12-6-18(27)26-19(24-12)15(10-23-26)20(28)22-11-17-14-7-13(8-21-9-14)16-4-2-3-5-25(16)17;;/h6,10,13-14,16-17,21,23H,2-5,7-9,11H2,1H3,(H,22,28);2*1H/t13-,14+,16+,17+;;/m1../s1
InChIKeyNDHNUCCQULRYNC-GMQBPZJWSA-N
MW457.41 g/mol
LogP1.37
Rot. Bonds3

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

N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride (PubChem CID 171325795) has the molecular formula C20H30Cl2N6O2 and a molecular weight of 457.41 g/mol. Its IUPAC name is N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride
PubChem CID171325795
Molecular FormulaC20H30Cl2N6O2
Molecular Weight457.41 g/mol
Exact Mass456.18
IUPAC NameN-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-5-methyl-7-oxo-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)[C@@H]4CCCCN43)c2n1.Cl.Cl
InChIInChI=1S/C20H28N6O2.2ClH/c1-12-6-18(27)26-19(24-12)15(10-23-26)20(28)22-11-17-14-7-13(8-21-9-14)16-4-2-3-5-25(16)17;;/h6,10,13-14,16-17,21,23H,2-5,7-9,11H2,1H3,(H,22,28);2*1H/t13-,14+,16+,17+;;/m1../s1
InChIKeyNDHNUCCQULRYNC-GMQBPZJWSA-N
XLogP1.37
TPSA94.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.41
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

2-methyl-6-{[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 164692867
(1R,2S,8S,9S)-11-[(2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl)methyl]-8-propyl-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
CID 164696559
6-{[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 166613483
7-hydroxy-5-methyl-N-{[(1R,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-8-yl]methyl}pyrazolo[1,5-a]pyrimidine-3-carboxamide dihydrochloride
CID 168059501
2-methyl-7-oxo-N-{[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-8-yl]methyl}-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide hydrochloride
CID 168062402
N-[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-8-ylmethyl]-7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide dihydrochloride
CID 168068380
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
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

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride (CID 171325795) is N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-5-methyl-7-oxo-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)[C@@H]4CCCCN43)c2n1.Cl.Cl.
What is the InChIKey of N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride?
The InChIKey is NDHNUCCQULRYNC-GMQBPZJWSA-N. The full InChI is InChI=1S/C20H28N6O2.2ClH/c1-12-6-18(27)26-19(24-12)15(10-23-26)20(28)22-11-17-14-7-13(8-21-9-14)16-4-2-3-5-25(16)17;;/h6,10,13-14,16-17,21,23H,2-5,7-9,11H2,1H3,(H,22,28);2*1H/t13-,14+,16+,17+;;/m1../s1.
What are the key properties of N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride?
N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride has a molecular weight of 457.41 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 171325795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).