(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone

C41H41ClN8O4 — CID 160697789

IUPAC(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
SMILESCN(C)c1cccc(C(=O)N2CCn3nc(OCc4ccccc4)cc3C2)n1.O=C(c1ccccc1Cl)N1CCn2nc(OCc3ccccc3)cc2C1
InChIInChI=1S/C21H23N5O2.C20H18ClN3O2/c1-24(2)19-10-6-9-18(22-19)21(27)25-11-12-26-17(14-25)13-20(23-26)28-15-16-7-4-3-5-8-16;21-18-9-5-4-8-17(18)20(25)23-10-11-24-16(13-23)12-19(22-24)26-14-15-6-2-1-3-7-15/h3-10,13H,11-12,14-15H2,1-2H3;1-9,12H,10-11,13-14H2
InChIKeyRQFHBMQQVHTROV-UHFFFAOYSA-N
MW745.28 g/mol
LogP6.35
Rot. Bonds9

About (2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone

(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone (PubChem CID 160697789) has the molecular formula C41H41ClN8O4 and a molecular weight of 745.28 g/mol. Its IUPAC name is (2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
PubChem CID160697789
Molecular FormulaC41H41ClN8O4
Molecular Weight745.28 g/mol
Exact Mass744.29
IUPAC Name(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
SMILESCN(C)c1cccc(C(=O)N2CCn3nc(OCc4ccccc4)cc3C2)n1.O=C(c1ccccc1Cl)N1CCn2nc(OCc3ccccc3)cc2C1
InChIInChI=1S/C21H23N5O2.C20H18ClN3O2/c1-24(2)19-10-6-9-18(22-19)21(27)25-11-12-26-17(14-25)13-20(23-26)28-15-16-7-4-3-5-8-16;21-18-9-5-4-8-17(18)20(25)23-10-11-24-16(13-23)12-19(22-24)26-14-15-6-2-1-3-7-15/h3-10,13H,11-12,14-15H2,1-2H3;1-9,12H,10-11,13-14H2
InChIKeyRQFHBMQQVHTROV-UHFFFAOYSA-N
XLogP6.35
TPSA110.85 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.28
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylpyrimidin-4-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 72703430
1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one
CID 123629266
ethane;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 144757774
(3-fluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 72703213
(3-fluoro-4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 118065760
(3-fluoro-3-methylcyclobutyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 118065782
(2,4-difluorophenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;ethane
CID 144757796
2-ethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
CID 72703429
3-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)hexan-1-one
CID 123638608
(2-chloro-1,2-dimethyl-3H-pyrrol-4-yl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 123937366
(4-fluorophenyl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
CID 86706495
[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone
CID 118065767

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone (CID 160697789) is (2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone is CN(C)c1cccc(C(=O)N2CCn3nc(OCc4ccccc4)cc3C2)n1.O=C(c1ccccc1Cl)N1CCn2nc(OCc3ccccc3)cc2C1.
What is the InChIKey of (2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The InChIKey is RQFHBMQQVHTROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2.C20H18ClN3O2/c1-24(2)19-10-6-9-18(22-19)21(27)25-11-12-26-17(14-25)13-20(23-26)28-15-16-7-4-3-5-8-16;21-18-9-5-4-8-17(18)20(25)23-10-11-24-16(13-23)12-19(22-24)26-14-15-6-2-1-3-7-15/h3-10,13H,11-12,14-15H2,1-2H3;1-9,12H,10-11,13-14H2.
What are the key properties of (2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone has a molecular weight of 745.28 g/mol, XLogP of 6.35, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone is sourced from PubChem (CID 160697789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).