(7S)-5-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C21H17F2N5O2 — CID 142598730

IUPAC(7S)-5-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@H]1CN(c2ccc(OC(F)F)cc2)C(=O)c2c(-c3ccc4nccn4c3)cnn21
InChIInChI=1S/C21H17F2N5O2/c1-13-11-27(15-3-5-16(6-4-15)30-21(22)23)20(29)19-17(10-25-28(13)19)14-2-7-18-24-8-9-26(18)12-14/h2-10,12-13,21H,11H2,1H3/t13-/m0/s1
InChIKeyLTQGCXYSELTNOT-ZDUSSCGKSA-N
MW409.40 g/mol
LogP4.02
Rot. Bonds4

About (7S)-5-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7S)-5-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 142598730) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is (7S)-5-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-5-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID142598730
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC Name(7S)-5-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@H]1CN(c2ccc(OC(F)F)cc2)C(=O)c2c(-c3ccc4nccn4c3)cnn21
InChIInChI=1S/C21H17F2N5O2/c1-13-11-27(15-3-5-16(6-4-15)30-21(22)23)20(29)19-17(10-25-28(13)19)14-2-7-18-24-8-9-26(18)12-14/h2-10,12-13,21H,11H2,1H3/t13-/m0/s1
InChIKeyLTQGCXYSELTNOT-ZDUSSCGKSA-N
XLogP4.02
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7S)-5-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-5-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 142598730) is (7S)-5-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-5-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-5-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C[C@H]1CN(c2ccc(OC(F)F)cc2)C(=O)c2c(-c3ccc4nccn4c3)cnn21.
What is the InChIKey of (7S)-5-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is LTQGCXYSELTNOT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c1-13-11-27(15-3-5-16(6-4-15)30-21(22)23)20(29)19-17(10-25-28(13)19)14-2-7-18-24-8-9-26(18)12-14/h2-10,12-13,21H,11H2,1H3/t13-/m0/s1.
What are the key properties of (7S)-5-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7S)-5-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 409.40 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-6-yl-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 142598730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).