8-chloro-N-[(2-fluorophenyl)methyl]-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C24H24ClFN4O3 — CID 122657512

IUPAC8-chloro-N-[(2-fluorophenyl)methyl]-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCC(C)NC(=O)CN(Cc1ccccc1F)C(=O)c1nn(C)c2c1COc1ccc(Cl)cc1-2
InChIInChI=1S/C24H24ClFN4O3/c1-14(2)27-21(31)12-30(11-15-6-4-5-7-19(15)26)24(32)22-18-13-33-20-9-8-16(25)10-17(20)23(18)29(3)28-22/h4-10,14H,11-13H2,1-3H3,(H,27,31)
InChIKeyQHWYOIZIUMRZDR-UHFFFAOYSA-N
MW470.93 g/mol
LogP3.94
Rot. Bonds6

About 8-chloro-N-[(2-fluorophenyl)methyl]-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-chromeno[3,4-d]pyrazole-3-carboxamide

8-chloro-N-[(2-fluorophenyl)methyl]-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 122657512) has the molecular formula C24H24ClFN4O3 and a molecular weight of 470.93 g/mol. Its IUPAC name is 8-chloro-N-[(2-fluorophenyl)methyl]-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[(2-fluorophenyl)methyl]-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID122657512
Molecular FormulaC24H24ClFN4O3
Molecular Weight470.93 g/mol
Exact Mass470.15
IUPAC Name8-chloro-N-[(2-fluorophenyl)methyl]-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCC(C)NC(=O)CN(Cc1ccccc1F)C(=O)c1nn(C)c2c1COc1ccc(Cl)cc1-2
InChIInChI=1S/C24H24ClFN4O3/c1-14(2)27-21(31)12-30(11-15-6-4-5-7-19(15)26)24(32)22-18-13-33-20-9-8-16(25)10-17(20)23(18)29(3)28-22/h4-10,14H,11-13H2,1-3H3,(H,27,31)
InChIKeyQHWYOIZIUMRZDR-UHFFFAOYSA-N
XLogP3.94
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.93
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(8-chloro-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carbonyl)-[(2-fluorophenyl)methyl]amino]methyl]-3-fluorobenzoic acid
CID 118063506
ethyl 3-[[2-[(8-chloro-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carbonyl)-[(2-fluorophenyl)methyl]amino]acetyl]amino]-5-fluorobenzoate
CID 118063635
N-[2-(5-acetyl-2-fluoroanilino)-2-oxoethyl]-9-chloro-N-[(2-fluorophenyl)methyl]-1-methyl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide
CID 118063566
8-bromo-N-[(3-fluorophenyl)methyl]-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 122657499
2-[(8-bromo-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carbonyl)-[(2,5-difluorophenyl)methyl]amino]acetic acid
CID 122663063
3-[[2-[benzyl-(8-fluoro-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carbonyl)amino]acetyl]amino]-4-fluorobenzoic acid
CID 118063879
8-bromo-N-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1,4,4-trimethylchromeno[3,4-d]pyrazole-3-carboxamide
CID 122657516
N-ethyl-N-(2-ethylphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 22516984
N,1-dimethyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 53015641
[4-(3-chlorophenyl)piperazin-1-yl]-(1-methyl-4H-chromeno[3,4-d]pyrazol-3-yl)methanone
CID 22516820
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113162169
N-(2-cyanoethyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 6623754

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(2-fluorophenyl)methyl]-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 8-chloro-N-[(2-fluorophenyl)methyl]-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 122657512) is 8-chloro-N-[(2-fluorophenyl)methyl]-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 8-chloro-N-[(2-fluorophenyl)methyl]-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 8-chloro-N-[(2-fluorophenyl)methyl]-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-chromeno[3,4-d]pyrazole-3-carboxamide is CC(C)NC(=O)CN(Cc1ccccc1F)C(=O)c1nn(C)c2c1COc1ccc(Cl)cc1-2.
What is the InChIKey of 8-chloro-N-[(2-fluorophenyl)methyl]-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is QHWYOIZIUMRZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O3/c1-14(2)27-21(31)12-30(11-15-6-4-5-7-19(15)26)24(32)22-18-13-33-20-9-8-16(25)10-17(20)23(18)29(3)28-22/h4-10,14H,11-13H2,1-3H3,(H,27,31).
What are the key properties of 8-chloro-N-[(2-fluorophenyl)methyl]-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
8-chloro-N-[(2-fluorophenyl)methyl]-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 470.93 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(2-fluorophenyl)methyl]-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 122657512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).