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

C23H29F2N5O4 — CID 156890525

IUPACN-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
SMILESC/C(=C\c1cnn2c(=O)c(C(=O)NC3CC3)c(O)n(CC(C)C)c12)C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C23H29F2N5O4/c1-13(2)12-29-19-15(10-14(3)20(32)28-8-6-23(24,25)7-9-28)11-26-30(19)22(34)17(21(29)33)18(31)27-16-4-5-16/h10-11,13,16,33H,4-9,12H2,1-3H3,(H,27,31)/b14-10+
InChIKeyNFTKJSNZQUJMAV-GXDHUFHOSA-N
MW477.51 g/mol
LogP2.41
Rot. Bonds6

About 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

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 (PubChem CID 156890525) has the molecular formula C23H29F2N5O4 and a molecular weight of 477.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID156890525
Molecular FormulaC23H29F2N5O4
Molecular Weight477.51 g/mol
Exact Mass477.22
IUPAC NameN-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
SMILESC/C(=C\c1cnn2c(=O)c(C(=O)NC3CC3)c(O)n(CC(C)C)c12)C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C23H29F2N5O4/c1-13(2)12-29-19-15(10-14(3)20(32)28-8-6-23(24,25)7-9-28)11-26-30(19)22(34)17(21(29)33)18(31)27-16-4-5-16/h10-11,13,16,33H,4-9,12H2,1-3H3,(H,27,31)/b14-10+
InChIKeyNFTKJSNZQUJMAV-GXDHUFHOSA-N
XLogP2.41
TPSA108.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

5-cyclopropylidene-7-(difluoromethyl)-N-(1-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136153022
[5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylpiperidin-1-yl)methanone
CID 136153057
[5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylpiperidin-1-yl)methanone
CID 136153057
4-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-6-one
CID 136595249
4-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-6-one
CID 136595249
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-(2,2,3,3,3-pentafluoropropyl)piperazin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156890486
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C(=C\c1cnn2c(=O)c(C(=O)NC3CC3)c(O)n(CC(C)C)c12)C(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 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?
The InChIKey is NFTKJSNZQUJMAV-GXDHUFHOSA-N. The full InChI is InChI=1S/C23H29F2N5O4/c1-13(2)12-29-19-15(10-14(3)20(32)28-8-6-23(24,25)7-9-28)11-26-30(19)22(34)17(21(29)33)18(31)27-16-4-5-16/h10-11,13,16,33H,4-9,12H2,1-3H3,(H,27,31)/b14-10+.
What are the key properties of 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?
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 has a molecular weight of 477.51 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156890525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).