N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(2,2,3,3,3-pentafluoropropyl)piperazin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

C24H29F5N6O4 — CID 156890486

IUPACN-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(2,2,3,3,3-pentafluoropropyl)piperazin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC(C)Cn1c(O)c(C(=O)NC2CC2)c(=O)n2ncc(/C=C/C(=O)N3CCN(CC(F)(F)C(F)(F)F)CC3)c12
InChIInChI=1S/C24H29F5N6O4/c1-14(2)12-34-20-15(11-30-35(20)22(39)18(21(34)38)19(37)31-16-4-5-16)3-6-17(36)33-9-7-32(8-10-33)13-23(25,26)24(27,28)29/h3,6,11,14,16,38H,4-5,7-10,12-13H2,1-2H3,(H,31,37)/b6-3+
InChIKeyWCUPZSJUFLWVRE-ZZXKWVIFSA-N
MW560.52 g/mol
LogP2.10
Rot. Bonds8

About N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(2,2,3,3,3-pentafluoropropyl)piperazin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(2,2,3,3,3-pentafluoropropyl)piperazin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 156890486) has the molecular formula C24H29F5N6O4 and a molecular weight of 560.52 g/mol. Its IUPAC name is N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(2,2,3,3,3-pentafluoropropyl)piperazin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(2,2,3,3,3-pentafluoropropyl)piperazin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID156890486
Molecular FormulaC24H29F5N6O4
Molecular Weight560.52 g/mol
Exact Mass560.22
IUPAC NameN-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(2,2,3,3,3-pentafluoropropyl)piperazin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC(C)Cn1c(O)c(C(=O)NC2CC2)c(=O)n2ncc(/C=C/C(=O)N3CCN(CC(F)(F)C(F)(F)F)CC3)c12
InChIInChI=1S/C24H29F5N6O4/c1-14(2)12-34-20-15(11-30-35(20)22(39)18(21(34)38)19(37)31-16-4-5-16)3-6-17(36)33-9-7-32(8-10-33)13-23(25,26)24(27,28)29/h3,6,11,14,16,38H,4-5,7-10,12-13H2,1-2H3,(H,31,37)/b6-3+
InChIKeyWCUPZSJUFLWVRE-ZZXKWVIFSA-N
XLogP2.10
TPSA112.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.52
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[(3S)-3-(trifluoromethyl)morpholin-4-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156890469
N-cyclopropyl-3-[(E)-3-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-oxoprop-1-enyl]-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156890481
N-cyclopropyl-5-hydroxy-3-[(E)-3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-oxoprop-1-enyl]-4-(oxan-4-ylmethyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156890482
N-cyclopropyl-3-[(E)-3-[4-(3,3-difluorocyclobutyl)piperazin-1-yl]-3-oxoprop-1-enyl]-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156890485
N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156890489
N-cyclopropyl-3-[(E)-3-(3-fluoroazetidin-1-yl)-3-oxoprop-1-enyl]-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156890497
N-cyclopropyl-3-[(E)-3-[4-(3,3-difluorocyclobutyl)piperazin-1-yl]-2-methyl-3-oxoprop-1-enyl]-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156890498
N-cyclopropyl-3-[(E)-3-(4,4-difluoropiperidin-1-yl)-2-methyl-3-oxoprop-1-enyl]-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156890525
N-cyclopropyl-3-[(E)-3-[4-(3,3-difluorocyclobutyl)piperazin-1-yl]-3-oxoprop-1-enyl]-5-hydroxy-2-methyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156890552
N-cyclopropyl-3-[(E)-3-(3,3-difluoropyrrolidin-1-yl)-3-oxoprop-1-enyl]-5-hydroxy-2-(methylamino)-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156890565
N-cyclopropyl-3-[(E)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxoprop-1-enyl]-5-hydroxy-2-(methylamino)-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156890567
N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(trifluoromethoxy)piperidin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156890588

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(2,2,3,3,3-pentafluoropropyl)piperazin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(2,2,3,3,3-pentafluoropropyl)piperazin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 156890486) is N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(2,2,3,3,3-pentafluoropropyl)piperazin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(2,2,3,3,3-pentafluoropropyl)piperazin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(2,2,3,3,3-pentafluoropropyl)piperazin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is CC(C)Cn1c(O)c(C(=O)NC2CC2)c(=O)n2ncc(/C=C/C(=O)N3CCN(CC(F)(F)C(F)(F)F)CC3)c12.
What is the InChIKey of N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(2,2,3,3,3-pentafluoropropyl)piperazin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is WCUPZSJUFLWVRE-ZZXKWVIFSA-N. The full InChI is InChI=1S/C24H29F5N6O4/c1-14(2)12-34-20-15(11-30-35(20)22(39)18(21(34)38)19(37)31-16-4-5-16)3-6-17(36)33-9-7-32(8-10-33)13-23(25,26)24(27,28)29/h3,6,11,14,16,38H,4-5,7-10,12-13H2,1-2H3,(H,31,37)/b6-3+.
What are the key properties of N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(2,2,3,3,3-pentafluoropropyl)piperazin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(2,2,3,3,3-pentafluoropropyl)piperazin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 560.52 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(2,2,3,3,3-pentafluoropropyl)piperazin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 156890486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).