3-N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-N-[(1R)-1-(2,3,5-trifluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine

C19H20F3N7 — CID 170680078

IUPAC3-N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-N-[(1R)-1-(2,3,5-trifluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine
SMILESC[C@@H](Nc1ccn2ncc(NC3=NCC(C)(C)N3)c2n1)c1cc(F)cc(F)c1F
InChIInChI=1S/C19H20F3N7/c1-10(12-6-11(20)7-13(21)16(12)22)25-15-4-5-29-17(27-15)14(8-24-29)26-18-23-9-19(2,3)28-18/h4-8,10H,9H2,1-3H3,(H,25,27)(H2,23,26,28)/t10-/m1/s1
InChIKeyMMZVTNYPOASLID-SNVBAGLBSA-N
MW403.41 g/mol
LogP3.47
Rot. Bonds4

About 3-N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-N-[(1R)-1-(2,3,5-trifluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine

3-N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-N-[(1R)-1-(2,3,5-trifluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine (PubChem CID 170680078) has the molecular formula C19H20F3N7 and a molecular weight of 403.41 g/mol. Its IUPAC name is 3-N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-N-[(1R)-1-(2,3,5-trifluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine.

Molecular Properties

Compound Name3-N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-N-[(1R)-1-(2,3,5-trifluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine
PubChem CID170680078
Molecular FormulaC19H20F3N7
Molecular Weight403.41 g/mol
Exact Mass403.17
IUPAC Name3-N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-N-[(1R)-1-(2,3,5-trifluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine
SMILESC[C@@H](Nc1ccn2ncc(NC3=NCC(C)(C)N3)c2n1)c1cc(F)cc(F)c1F
InChIInChI=1S/C19H20F3N7/c1-10(12-6-11(20)7-13(21)16(12)22)25-15-4-5-29-17(27-15)14(8-24-29)26-18-23-9-19(2,3)28-18/h4-8,10H,9H2,1-3H3,(H,25,27)(H2,23,26,28)/t10-/m1/s1
InChIKeyMMZVTNYPOASLID-SNVBAGLBSA-N
XLogP3.47
TPSA78.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 3-N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-N-[(1R)-1-(2,3,5-trifluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-N-[(1R)-1-(2,3,5-trifluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine?
The IUPAC name of 3-N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-N-[(1R)-1-(2,3,5-trifluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine (CID 170680078) is 3-N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-N-[(1R)-1-(2,3,5-trifluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine.
What is the SMILES notation for 3-N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-N-[(1R)-1-(2,3,5-trifluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine?
The canonical SMILES for 3-N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-N-[(1R)-1-(2,3,5-trifluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine is C[C@@H](Nc1ccn2ncc(NC3=NCC(C)(C)N3)c2n1)c1cc(F)cc(F)c1F.
What is the InChIKey of 3-N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-N-[(1R)-1-(2,3,5-trifluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine?
The InChIKey is MMZVTNYPOASLID-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H20F3N7/c1-10(12-6-11(20)7-13(21)16(12)22)25-15-4-5-29-17(27-15)14(8-24-29)26-18-23-9-19(2,3)28-18/h4-8,10H,9H2,1-3H3,(H,25,27)(H2,23,26,28)/t10-/m1/s1.
What are the key properties of 3-N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-N-[(1R)-1-(2,3,5-trifluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine?
3-N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-N-[(1R)-1-(2,3,5-trifluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine has a molecular weight of 403.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-N-[(1R)-1-(2,3,5-trifluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine is sourced from PubChem (CID 170680078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).