1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-N,N-dimethylpyrrolidine-3-carboxamide

C33H35FN6O2 — CID 155163111

IUPAC1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-N,N-dimethylpyrrolidine-3-carboxamide
SMILESC[C@@H]1c2ccccc2CCN1C(=O)c1cc(C2CC2)n2nc(-c3ccc(N4CCC(C(=O)N(C)C)C4)cc3F)cc2n1
InChIInChI=1S/C33H35FN6O2/c1-20-25-7-5-4-6-21(25)13-15-39(20)33(42)29-17-30(22-8-9-22)40-31(35-29)18-28(36-40)26-11-10-24(16-27(26)34)38-14-12-23(19-38)32(41)37(2)3/h4-7,10-11,16-18,20,22-23H,8-9,12-15,19H2,1-3H3/t20-,23?/m1/s1
InChIKeyRLOZNPBSAQBRBZ-PPUHSXQSSA-N
MW566.68 g/mol
LogP5.09
Rot. Bonds5

About 1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-N,N-dimethylpyrrolidine-3-carboxamide

1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-N,N-dimethylpyrrolidine-3-carboxamide (PubChem CID 155163111) has the molecular formula C33H35FN6O2 and a molecular weight of 566.68 g/mol. Its IUPAC name is 1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-N,N-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-N,N-dimethylpyrrolidine-3-carboxamide
PubChem CID155163111
Molecular FormulaC33H35FN6O2
Molecular Weight566.68 g/mol
Exact Mass566.28
IUPAC Name1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-N,N-dimethylpyrrolidine-3-carboxamide
SMILESC[C@@H]1c2ccccc2CCN1C(=O)c1cc(C2CC2)n2nc(-c3ccc(N4CCC(C(=O)N(C)C)C4)cc3F)cc2n1
InChIInChI=1S/C33H35FN6O2/c1-20-25-7-5-4-6-21(25)13-15-39(20)33(42)29-17-30(22-8-9-22)40-31(35-29)18-28(36-40)26-11-10-24(16-27(26)34)38-14-12-23(19-38)32(41)37(2)3/h4-7,10-11,16-18,20,22-23H,8-9,12-15,19H2,1-3H3/t20-,23?/m1/s1
InChIKeyRLOZNPBSAQBRBZ-PPUHSXQSSA-N
XLogP5.09
TPSA74.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.68
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-N,N-dimethylpyrrolidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-N,N-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-N,N-dimethylpyrrolidine-3-carboxamide (CID 155163111) is 1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-N,N-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-N,N-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-N,N-dimethylpyrrolidine-3-carboxamide is C[C@@H]1c2ccccc2CCN1C(=O)c1cc(C2CC2)n2nc(-c3ccc(N4CCC(C(=O)N(C)C)C4)cc3F)cc2n1.
What is the InChIKey of 1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-N,N-dimethylpyrrolidine-3-carboxamide?
The InChIKey is RLOZNPBSAQBRBZ-PPUHSXQSSA-N. The full InChI is InChI=1S/C33H35FN6O2/c1-20-25-7-5-4-6-21(25)13-15-39(20)33(42)29-17-30(22-8-9-22)40-31(35-29)18-28(36-40)26-11-10-24(16-27(26)34)38-14-12-23(19-38)32(41)37(2)3/h4-7,10-11,16-18,20,22-23H,8-9,12-15,19H2,1-3H3/t20-,23?/m1/s1.
What are the key properties of 1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-N,N-dimethylpyrrolidine-3-carboxamide?
1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-N,N-dimethylpyrrolidine-3-carboxamide has a molecular weight of 566.68 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-N,N-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 155163111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).