(1R,5S)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

C17H20N6O2 — CID 74251109

IUPAC(1R,5S)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCn1nc(-c2ccccn2)cc1NC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2
InChIInChI=1S/C17H20N6O2/c1-22-15(8-14(21-22)13-4-2-3-7-18-13)20-17(25)23-9-11-5-6-12(10-23)19-16(11)24/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,19,24)(H,20,25)/t11-,12+/m1/s1
InChIKeyHUNLFIHKDSSRGQ-NEPJUHHUSA-N
MW340.39 g/mol
LogP1.22
Rot. Bonds2

About (1R,5S)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

(1R,5S)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (PubChem CID 74251109) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is (1R,5S)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
PubChem CID74251109
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name(1R,5S)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCn1nc(-c2ccccn2)cc1NC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2
InChIInChI=1S/C17H20N6O2/c1-22-15(8-14(21-22)13-4-2-3-7-18-13)20-17(25)23-9-11-5-6-12(10-23)19-16(11)24/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,19,24)(H,20,25)/t11-,12+/m1/s1
InChIKeyHUNLFIHKDSSRGQ-NEPJUHHUSA-N
XLogP1.22
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,5S)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
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CID 125178914
N-(1-methyl-3-phenylpyrazol-5-yl)-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 156608111
N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1H-indazole-3-carboxamide
CID 29182775
N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 155913126
1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-[(3S)-1-oxaspiro[4.5]decan-3-yl]urea
CID 125176825
(1S,5R)-N-[3-(2-methylprop-2-enoxy)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide
CID 74239213
1-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea
CID 97434949
(1R,5S)-N-(4-cyclohexylphenyl)-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide
CID 133124499
N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 155916047
N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpyrazol-1-yl)acetamide
CID 46995367
2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)acetamide
CID 28786054

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The IUPAC name of (1R,5S)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (CID 74251109) is (1R,5S)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.
What is the SMILES notation for (1R,5S)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The canonical SMILES for (1R,5S)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is Cn1nc(-c2ccccn2)cc1NC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2.
What is the InChIKey of (1R,5S)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The InChIKey is HUNLFIHKDSSRGQ-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-22-15(8-14(21-22)13-4-2-3-7-18-13)20-17(25)23-9-11-5-6-12(10-23)19-16(11)24/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,19,24)(H,20,25)/t11-,12+/m1/s1.
What are the key properties of (1R,5S)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
(1R,5S)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is sourced from PubChem (CID 74251109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).