N-[1-cyclopropyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide

C26H24F2N6O2 — CID 170088275

IUPACN-[1-cyclopropyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESC[C@@H]1CCN(c2c(NC(=O)c3ccc(=O)n(-c4c(F)cccc4F)n3)ccc3c2cnn3C2CC2)C1
InChIInChI=1S/C26H24F2N6O2/c1-15-11-12-32(14-15)24-17-13-29-33(16-5-6-16)22(17)9-7-20(24)30-26(36)21-8-10-23(35)34(31-21)25-18(27)3-2-4-19(25)28/h2-4,7-10,13,15-16H,5-6,11-12,14H2,1H3,(H,30,36)/t15-/m1/s1
InChIKeySOUVLFVRQWGZPS-OAHLLOKOSA-N
MW490.51 g/mol
LogP4.29
Rot. Bonds5

About N-[1-cyclopropyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide

N-[1-cyclopropyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 170088275) has the molecular formula C26H24F2N6O2 and a molecular weight of 490.51 g/mol. Its IUPAC name is N-[1-cyclopropyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-cyclopropyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
PubChem CID170088275
Molecular FormulaC26H24F2N6O2
Molecular Weight490.51 g/mol
Exact Mass490.19
IUPAC NameN-[1-cyclopropyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESC[C@@H]1CCN(c2c(NC(=O)c3ccc(=O)n(-c4c(F)cccc4F)n3)ccc3c2cnn3C2CC2)C1
InChIInChI=1S/C26H24F2N6O2/c1-15-11-12-32(14-15)24-17-13-29-33(16-5-6-16)22(17)9-7-20(24)30-26(36)21-8-10-23(35)34(31-21)25-18(27)3-2-4-19(25)28/h2-4,7-10,13,15-16H,5-6,11-12,14H2,1H3,(H,30,36)/t15-/m1/s1
InChIKeySOUVLFVRQWGZPS-OAHLLOKOSA-N
XLogP4.29
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-cyclopropyl-4-(3-methylpyrrolidin-1-yl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 168988770
1-(2,6-difluorophenyl)-N-[4-[(3R)-3-methylpyrrolidin-1-yl]-1-[(3R)-oxolan-3-yl]indazol-5-yl]-6-oxopyridazine-3-carboxamide
CID 168988229
1-(2,6-difluorophenyl)-N-[1-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-6-oxopyridazine-3-carboxamide
CID 168988493
N-[1-tert-butyl-4-[(3S)-3-methylpyrrolidin-1-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 168988548
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-1-propan-2-ylindazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 168988251
N-[4-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-[(3R)-oxan-3-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 168988562
N-[2-(1-bicyclo[1.1.1]pentanyl)-4-[(3S)-3-methylpyrrolidin-1-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 168988613
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-1-(2,2,2-trifluoroethyl)indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 176511312
1-(2,6-difluorophenyl)-N-[4-[(3R)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]-1-propan-2-ylindazol-5-yl]-6-oxopyridazine-3-carboxamide
CID 170086734
N-[4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-[(3R)-oxolan-3-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 170091185
N-[4-[(3R,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-propan-2-ylindazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 170091833
N-[4-amino-3-(tert-butyliminomethyl)-2-(3-methylpyrrolidin-1-yl)phenyl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 168988139

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[1-cyclopropyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide (CID 170088275) is N-[1-cyclopropyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[1-cyclopropyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[1-cyclopropyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide is C[C@@H]1CCN(c2c(NC(=O)c3ccc(=O)n(-c4c(F)cccc4F)n3)ccc3c2cnn3C2CC2)C1.
What is the InChIKey of N-[1-cyclopropyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is SOUVLFVRQWGZPS-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H24F2N6O2/c1-15-11-12-32(14-15)24-17-13-29-33(16-5-6-16)22(17)9-7-20(24)30-26(36)21-8-10-23(35)34(31-21)25-18(27)3-2-4-19(25)28/h2-4,7-10,13,15-16H,5-6,11-12,14H2,1H3,(H,30,36)/t15-/m1/s1.
What are the key properties of N-[1-cyclopropyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide?
N-[1-cyclopropyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 490.51 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 170088275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).