[(5R)-5-cyclohexa-2,4-dien-1-yl-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-(2,2-diethyl-4-fluoropyrrolidin-1-yl)methanone

C24H35FN4O — CID 136507270

IUPAC[(5R)-5-cyclohexa-2,4-dien-1-yl-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-(2,2-diethyl-4-fluoropyrrolidin-1-yl)methanone
SMILESCCC1(CC)CC(F)CN1C(=O)c1c(C)nn2c1N[C@@H](C1C=CC=CC1)CC2(C)C
InChIInChI=1S/C24H35FN4O/c1-6-24(7-2)13-18(25)15-28(24)22(30)20-16(3)27-29-21(20)26-19(14-23(29,4)5)17-11-9-8-10-12-17/h8-11,17-19,26H,6-7,12-15H2,1-5H3/t17?,18?,19-/m1/s1
InChIKeyWJRFKEIAKGDURG-CTWPCTMYSA-N
MW414.57 g/mol
LogP4.99
Rot. Bonds4

About [(5R)-5-cyclohexa-2,4-dien-1-yl-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-(2,2-diethyl-4-fluoropyrrolidin-1-yl)methanone

[(5R)-5-cyclohexa-2,4-dien-1-yl-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-(2,2-diethyl-4-fluoropyrrolidin-1-yl)methanone (PubChem CID 136507270) has the molecular formula C24H35FN4O and a molecular weight of 414.57 g/mol. Its IUPAC name is [(5R)-5-cyclohexa-2,4-dien-1-yl-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-(2,2-diethyl-4-fluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[(5R)-5-cyclohexa-2,4-dien-1-yl-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-(2,2-diethyl-4-fluoropyrrolidin-1-yl)methanone
PubChem CID136507270
Molecular FormulaC24H35FN4O
Molecular Weight414.57 g/mol
Exact Mass414.28
IUPAC Name[(5R)-5-cyclohexa-2,4-dien-1-yl-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-(2,2-diethyl-4-fluoropyrrolidin-1-yl)methanone
SMILESCCC1(CC)CC(F)CN1C(=O)c1c(C)nn2c1N[C@@H](C1C=CC=CC1)CC2(C)C
InChIInChI=1S/C24H35FN4O/c1-6-24(7-2)13-18(25)15-28(24)22(30)20-16(3)27-29-21(20)26-19(14-23(29,4)5)17-11-9-8-10-12-17/h8-11,17-19,26H,6-7,12-15H2,1-5H3/t17?,18?,19-/m1/s1
InChIKeyWJRFKEIAKGDURG-CTWPCTMYSA-N
XLogP4.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(5R)-5-cyclohexa-2,4-dien-1-yl-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-(2,2-diethyl-4-fluoropyrrolidin-1-yl)methanone with MolForge

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Related Compounds

US10118930, Example 429
CID 137018588
US10118930, Example 317
CID 137018316
US10118930, Example 421
CID 137018363
US10118930, Example 422
CID 137018364
US10118930, Example 432
CID 137018384
US10118930, Example 319
CID 137018405
US10118930, Example 401
CID 137018408
US10118930, Example 400
CID 137018413
US10118930, Example 399
CID 137018415
US10118930, Example 411
CID 137018463
US10118930, Example 413
CID 137018465
US10118930, Example 396
CID 137018597

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-cyclohexa-2,4-dien-1-yl-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-(2,2-diethyl-4-fluoropyrrolidin-1-yl)methanone?
The IUPAC name of [(5R)-5-cyclohexa-2,4-dien-1-yl-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-(2,2-diethyl-4-fluoropyrrolidin-1-yl)methanone (CID 136507270) is [(5R)-5-cyclohexa-2,4-dien-1-yl-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-(2,2-diethyl-4-fluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for [(5R)-5-cyclohexa-2,4-dien-1-yl-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-(2,2-diethyl-4-fluoropyrrolidin-1-yl)methanone?
The canonical SMILES for [(5R)-5-cyclohexa-2,4-dien-1-yl-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-(2,2-diethyl-4-fluoropyrrolidin-1-yl)methanone is CCC1(CC)CC(F)CN1C(=O)c1c(C)nn2c1N[C@@H](C1C=CC=CC1)CC2(C)C.
What is the InChIKey of [(5R)-5-cyclohexa-2,4-dien-1-yl-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-(2,2-diethyl-4-fluoropyrrolidin-1-yl)methanone?
The InChIKey is WJRFKEIAKGDURG-CTWPCTMYSA-N. The full InChI is InChI=1S/C24H35FN4O/c1-6-24(7-2)13-18(25)15-28(24)22(30)20-16(3)27-29-21(20)26-19(14-23(29,4)5)17-11-9-8-10-12-17/h8-11,17-19,26H,6-7,12-15H2,1-5H3/t17?,18?,19-/m1/s1.
What are the key properties of [(5R)-5-cyclohexa-2,4-dien-1-yl-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-(2,2-diethyl-4-fluoropyrrolidin-1-yl)methanone?
[(5R)-5-cyclohexa-2,4-dien-1-yl-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-(2,2-diethyl-4-fluoropyrrolidin-1-yl)methanone has a molecular weight of 414.57 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-cyclohexa-2,4-dien-1-yl-2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-(2,2-diethyl-4-fluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 136507270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).