methyl 5-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate

C27H26F2N6O3 — CID 123598083

IUPACmethyl 5-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCC(NC(=O)c1cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc13)C2
InChIInChI=1S/C27H26F2N6O3/c1-38-27(37)23-13-19-12-17(6-9-34(19)32-23)31-26(36)21-15-30-35-10-7-18(14-25(21)35)33-8-2-3-24(33)20-11-16(28)4-5-22(20)29/h4-5,7,10-11,13-15,17,24H,2-3,6,8-9,12H2,1H3,(H,31,36)
InChIKeyQFKMRSLOUXEBBE-UHFFFAOYSA-N
MW520.54 g/mol
LogP3.68
Rot. Bonds5

About methyl 5-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate

methyl 5-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate (PubChem CID 123598083) has the molecular formula C27H26F2N6O3 and a molecular weight of 520.54 g/mol. Its IUPAC name is methyl 5-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
PubChem CID123598083
Molecular FormulaC27H26F2N6O3
Molecular Weight520.54 g/mol
Exact Mass520.20
IUPAC Namemethyl 5-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCC(NC(=O)c1cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc13)C2
InChIInChI=1S/C27H26F2N6O3/c1-38-27(37)23-13-19-12-17(6-9-34(19)32-23)31-26(36)21-15-30-35-10-7-18(14-25(21)35)33-8-2-3-24(33)20-11-16(28)4-5-22(20)29/h4-5,7,10-11,13-15,17,24H,2-3,6,8-9,12H2,1H3,(H,31,36)
InChIKeyQFKMRSLOUXEBBE-UHFFFAOYSA-N
XLogP3.68
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.54
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 5-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate with MolForge

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Related Compounds

ethyl 3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylate
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Methyl 6-({[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]amino}carbonyl)nicotinate
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US10889564, Example 9
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[(1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl] 1-(1-methylpyrazol-4-yl)indole-3-carboxylate
CID 89927732
US10435396, Example 55
CID 137377404
N-[(1R)-1-phenylpropyl]-6-[2-(1-pyrazol-1-ylethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 89733926
6-[2-(1-methylpyrazol-3-yl)pyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
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US9951086, Example 264
CID 122637015
3-Oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1-methylpyrazol-4-yl)indole-3-carboxylate
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(R)-(4-((1-methyl-1H-indol-3-yl)methyl)-8-oxo-2-phenethyl-2,4,5,6,7,8-hexahydropyrazolo[4,3-e][1,4]diazepin-6-yl)methyl 1-methyl-1H-indole-3-carboxylate
CID 45486091
[2-(diethylamino)-2-oxo-ethyl] 5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-indol-7-yl]-1H-pyrazole-3-carboxylate
CID 507997
[(6R)-4-[(4-fluorophenyl)methyl]-8-oxo-2-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[4,3-e][1,4]diazepin-6-yl]methyl 1-methylindole-3-carboxylate
CID 45486084

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate (CID 123598083) is methyl 5-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate is COC(=O)c1cc2n(n1)CCC(NC(=O)c1cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc13)C2.
What is the InChIKey of methyl 5-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate?
The InChIKey is QFKMRSLOUXEBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N6O3/c1-38-27(37)23-13-19-12-17(6-9-34(19)32-23)31-26(36)21-15-30-35-10-7-18(14-25(21)35)33-8-2-3-24(33)20-11-16(28)4-5-22(20)29/h4-5,7,10-11,13-15,17,24H,2-3,6,8-9,12H2,1H3,(H,31,36).
What are the key properties of methyl 5-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate?
methyl 5-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate has a molecular weight of 520.54 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate is sourced from PubChem (CID 123598083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).