N-[(3aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-4-yl]-7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide

C24H26F2N4O2 — CID 130255987

IUPACN-[(3aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-4-yl]-7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1cc(OCc2c(F)cccc2F)n2nc(C)c(C(=O)NC3CCC4NCC[C@@H]43)c2c1
InChIInChI=1S/C24H26F2N4O2/c1-13-10-21-23(24(31)28-20-7-6-19-15(20)8-9-27-19)14(2)29-30(21)22(11-13)32-12-16-17(25)4-3-5-18(16)26/h3-5,10-11,15,19-20,27H,6-9,12H2,1-2H3,(H,28,31)/t15-,19?,20?/m0/s1
InChIKeyFHVGJYIPXIGKDC-VMEOHVCESA-N
MW440.49 g/mol
LogP3.68
Rot. Bonds5

About N-[(3aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-4-yl]-7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide

N-[(3aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-4-yl]-7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 130255987) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is N-[(3aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-4-yl]-7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-4-yl]-7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID130255987
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC NameN-[(3aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-4-yl]-7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1cc(OCc2c(F)cccc2F)n2nc(C)c(C(=O)NC3CCC4NCC[C@@H]43)c2c1
InChIInChI=1S/C24H26F2N4O2/c1-13-10-21-23(24(31)28-20-7-6-19-15(20)8-9-27-19)14(2)29-30(21)22(11-13)32-12-16-17(25)4-3-5-18(16)26/h3-5,10-11,15,19-20,27H,6-9,12H2,1-2H3,(H,28,31)/t15-,19?,20?/m0/s1
InChIKeyFHVGJYIPXIGKDC-VMEOHVCESA-N
XLogP3.68
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-4-yl]-7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Related Compounds

7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 130234397
4-[2-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one
CID 146930452
3-[[[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]-2-methyladamantane-1-carboxylic acid
CID 130234419
1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)ethanone
CID 147664055
4-amino-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-methylpentan-1-one
CID 158471196
methyl 3-[1-[[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]propan-2-yl]benzoate
CID 121445049
7-[(2,6-difluorophenyl)methoxy]-2,5-dimethyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrazolo[1,5-a]pyridine-3-carbohydrazide;2,2,2-trifluoroacetic acid
CID 130234406
(3S)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-1-one
CID 160561732
(2S)-6-[[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]-2-(methylamino)hexanoic acid
CID 130234400
7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboximidamide
CID 121379409
methyl 3-[[[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]adamantane-1-carboxylate
CID 121434541
(3R)-1-[7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl]-4-hydroxy-3-(5-methylfuran-2-yl)butan-1-one
CID 147844433

Frequently Asked Questions

What is the IUPAC name of N-[(3aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-4-yl]-7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[(3aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-4-yl]-7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 130255987) is N-[(3aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-4-yl]-7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-4-yl]-7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(3aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-4-yl]-7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide is Cc1cc(OCc2c(F)cccc2F)n2nc(C)c(C(=O)NC3CCC4NCC[C@@H]43)c2c1.
What is the InChIKey of N-[(3aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-4-yl]-7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is FHVGJYIPXIGKDC-VMEOHVCESA-N. The full InChI is InChI=1S/C24H26F2N4O2/c1-13-10-21-23(24(31)28-20-7-6-19-15(20)8-9-27-19)14(2)29-30(21)22(11-13)32-12-16-17(25)4-3-5-18(16)26/h3-5,10-11,15,19-20,27H,6-9,12H2,1-2H3,(H,28,31)/t15-,19?,20?/m0/s1.
What are the key properties of N-[(3aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-4-yl]-7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide?
N-[(3aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-4-yl]-7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 440.49 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-4-yl]-7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 130255987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).