N-[(1R,2R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-yl]acetamide

C20H22N6O — CID 70708407

IUPACN-[(1R,2R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCC(=O)N[C@@H]1Cc2ccccc2[C@H]1n1ccnc1-c1cc2n(n1)CCNC2
InChIInChI=1S/C20H22N6O/c1-13(27)23-17-10-14-4-2-3-5-16(14)19(17)25-8-7-22-20(25)18-11-15-12-21-6-9-26(15)24-18/h2-5,7-8,11,17,19,21H,6,9-10,12H2,1H3,(H,23,27)/t17-,19-/m1/s1
InChIKeyWNNYAYHBJQMEPZ-IEBWSBKVSA-N
MW362.44 g/mol
LogP1.50
Rot. Bonds3

About N-[(1R,2R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-yl]acetamide

N-[(1R,2R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-yl]acetamide (PubChem CID 70708407) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-[(1R,2R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-yl]acetamide
PubChem CID70708407
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-[(1R,2R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCC(=O)N[C@@H]1Cc2ccccc2[C@H]1n1ccnc1-c1cc2n(n1)CCNC2
InChIInChI=1S/C20H22N6O/c1-13(27)23-17-10-14-4-2-3-5-16(14)19(17)25-8-7-22-20(25)18-11-15-12-21-6-9-26(15)24-18/h2-5,7-8,11,17,19,21H,6,9-10,12H2,1H3,(H,23,27)/t17-,19-/m1/s1
InChIKeyWNNYAYHBJQMEPZ-IEBWSBKVSA-N
XLogP1.50
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-yl]acetamide?
The IUPAC name of N-[(1R,2R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-yl]acetamide (CID 70708407) is N-[(1R,2R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-yl]acetamide.
What is the SMILES notation for N-[(1R,2R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-yl]acetamide?
The canonical SMILES for N-[(1R,2R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-yl]acetamide is CC(=O)N[C@@H]1Cc2ccccc2[C@H]1n1ccnc1-c1cc2n(n1)CCNC2.
What is the InChIKey of N-[(1R,2R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-yl]acetamide?
The InChIKey is WNNYAYHBJQMEPZ-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H22N6O/c1-13(27)23-17-10-14-4-2-3-5-16(14)19(17)25-8-7-22-20(25)18-11-15-12-21-6-9-26(15)24-18/h2-5,7-8,11,17,19,21H,6,9-10,12H2,1H3,(H,23,27)/t17-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-yl]acetamide?
N-[(1R,2R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-yl]acetamide has a molecular weight of 362.44 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-yl]acetamide is sourced from PubChem (CID 70708407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).