1-[2-[2-[(6-cyanopyrazolo[1,5-a]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C27H21FN10O3 — CID 118334431

IUPAC1-[2-[2-[(6-cyanopyrazolo[1,5-a]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESN#Cc1ccc2c(NC(=O)C3CC(F)CN3C(=O)Cn3nc(C(N)=O)c4cc(-c5ccnnc5)ccc43)cnn2c1
InChIInChI=1S/C27H21FN10O3/c28-18-8-23(27(41)34-20-11-33-37-12-15(9-29)1-3-22(20)37)36(13-18)24(39)14-38-21-4-2-16(17-5-6-31-32-10-17)7-19(21)25(35-38)26(30)40/h1-7,10-12,18,23H,8,13-14H2,(H2,30,40)(H,34,41)
InChIKeyNNUWZWJUBKZNKB-UHFFFAOYSA-N
MW552.53 g/mol
LogP1.69
Rot. Bonds6

About 1-[2-[2-[(6-cyanopyrazolo[1,5-a]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[2-[(6-cyanopyrazolo[1,5-a]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 118334431) has the molecular formula C27H21FN10O3 and a molecular weight of 552.53 g/mol. Its IUPAC name is 1-[2-[2-[(6-cyanopyrazolo[1,5-a]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[(6-cyanopyrazolo[1,5-a]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
PubChem CID118334431
Molecular FormulaC27H21FN10O3
Molecular Weight552.53 g/mol
Exact Mass552.18
IUPAC Name1-[2-[2-[(6-cyanopyrazolo[1,5-a]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESN#Cc1ccc2c(NC(=O)C3CC(F)CN3C(=O)Cn3nc(C(N)=O)c4cc(-c5ccnnc5)ccc43)cnn2c1
InChIInChI=1S/C27H21FN10O3/c28-18-8-23(27(41)34-20-11-33-37-12-15(9-29)1-3-22(20)37)36(13-18)24(39)14-38-21-4-2-16(17-5-6-31-32-10-17)7-19(21)25(35-38)26(30)40/h1-7,10-12,18,23H,8,13-14H2,(H2,30,40)(H,34,41)
InChIKeyNNUWZWJUBKZNKB-UHFFFAOYSA-N
XLogP1.69
TPSA177.19 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.53
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
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N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381061
N-[2-methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]-3-pyridinyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71283495
N-(5-(2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl)-2-methylpyridin-3-yl)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo(1,5-a)pyridine-3-carboxamide
CID 71283628
3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(1-pyridin-3-yl-1H-indol-3-yl)-pyrrole-2,5-dione
CID 10163439
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-(2-oxo-2-piperazin-1-ylethyl)indole-3-carboxamide
CID 66576450
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)indole-3-carboxamide
CID 66576610
1-propan-2-yl-1'-(1H-pyrrolo[3,2-b]pyridine-6-carbonyl)spiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
CID 67204380
5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-indole-2-carboxamide
CID 70675044
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 70922234
N-(1-(3-cyanobenzyl)-1H-pyrazol-4-yl)-6-(pyridin-4-yl)-1H-indazole-3-carboxamide
CID 71259506

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(6-cyanopyrazolo[1,5-a]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[2-[(6-cyanopyrazolo[1,5-a]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 118334431) is 1-[2-[2-[(6-cyanopyrazolo[1,5-a]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.
What is the SMILES notation for 1-[2-[2-[(6-cyanopyrazolo[1,5-a]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[2-[(6-cyanopyrazolo[1,5-a]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is N#Cc1ccc2c(NC(=O)C3CC(F)CN3C(=O)Cn3nc(C(N)=O)c4cc(-c5ccnnc5)ccc43)cnn2c1.
What is the InChIKey of 1-[2-[2-[(6-cyanopyrazolo[1,5-a]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is NNUWZWJUBKZNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN10O3/c28-18-8-23(27(41)34-20-11-33-37-12-15(9-29)1-3-22(20)37)36(13-18)24(39)14-38-21-4-2-16(17-5-6-31-32-10-17)7-19(21)25(35-38)26(30)40/h1-7,10-12,18,23H,8,13-14H2,(H2,30,40)(H,34,41).
What are the key properties of 1-[2-[2-[(6-cyanopyrazolo[1,5-a]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[2-[(6-cyanopyrazolo[1,5-a]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 552.53 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(6-cyanopyrazolo[1,5-a]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 118334431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).