2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide

C25H25F2N5O — CID 19499629

IUPAC2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide
SMILESCc1nn(CC(=O)NC(C)c2cccc(-n3cccc3)c2)c2nc(C3CC3)cc(C(F)F)c12
InChIInChI=1S/C25H25F2N5O/c1-15(18-6-5-7-19(12-18)31-10-3-4-11-31)28-22(33)14-32-25-23(16(2)30-32)20(24(26)27)13-21(29-25)17-8-9-17/h3-7,10-13,15,17,24H,8-9,14H2,1-2H3,(H,28,33)
InChIKeyYECQSIAGLVFTAM-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.22
Rot. Bonds7

About 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide

2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide (PubChem CID 19499629) has the molecular formula C25H25F2N5O and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide
PubChem CID19499629
Molecular FormulaC25H25F2N5O
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Name2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide
SMILESCc1nn(CC(=O)NC(C)c2cccc(-n3cccc3)c2)c2nc(C3CC3)cc(C(F)F)c12
InChIInChI=1S/C25H25F2N5O/c1-15(18-6-5-7-19(12-18)31-10-3-4-11-31)28-22(33)14-32-25-23(16(2)30-32)20(24(26)27)13-21(29-25)17-8-9-17/h3-7,10-13,15,17,24H,8-9,14H2,1-2H3,(H,28,33)
InChIKeyYECQSIAGLVFTAM-UHFFFAOYSA-N
XLogP5.22
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 19499556
2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide
CID 19497436
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(1-pyrazol-1-ylpropan-2-yl)acetamide
CID 19499702
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide
CID 19499634
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 19505754
N-[(2-chlorophenyl)methyl]-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499540
N-(3-chloro-4-fluorophenyl)-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499512
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 19499506
N-(2-adamantyl)-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499552
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide
CID 19519226
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
CID 19499534
1-(4-benzylpiperazin-1-yl)-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 19499475

Frequently Asked Questions

What is the IUPAC name of 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide (CID 19499629) is 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide is Cc1nn(CC(=O)NC(C)c2cccc(-n3cccc3)c2)c2nc(C3CC3)cc(C(F)F)c12.
What is the InChIKey of 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide?
The InChIKey is YECQSIAGLVFTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O/c1-15(18-6-5-7-19(12-18)31-10-3-4-11-31)28-22(33)14-32-25-23(16(2)30-32)20(24(26)27)13-21(29-25)17-8-9-17/h3-7,10-13,15,17,24H,8-9,14H2,1-2H3,(H,28,33).
What are the key properties of 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide?
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide has a molecular weight of 449.51 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 19499629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).