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

C24H23F2N7O2 — CID 168988300

IUPACN-[4-[(3R,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-methylindazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESC[C@@H]1CN(c2c(NC(=O)c3ccc(=O)n(-c4c(F)cccc4F)n3)ccc3c2cnn3C)C[C@@H]1N
InChIInChI=1S/C24H23F2N7O2/c1-13-11-32(12-17(13)27)22-14-10-28-31(2)20(14)8-6-18(22)29-24(35)19-7-9-21(34)33(30-19)23-15(25)4-3-5-16(23)26/h3-10,13,17H,11-12,27H2,1-2H3,(H,29,35)/t13-,17+/m1/s1
InChIKeyNDWLAKVCWQJXBO-DYVFJYSZSA-N
MW479.49 g/mol
LogP2.43
Rot. Bonds4

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

N-[4-[(3R,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-methylindazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 168988300) has the molecular formula C24H23F2N7O2 and a molecular weight of 479.49 g/mol. Its IUPAC name is N-[4-[(3R,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-methylindazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(3R,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-methylindazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
PubChem CID168988300
Molecular FormulaC24H23F2N7O2
Molecular Weight479.49 g/mol
Exact Mass479.19
IUPAC NameN-[4-[(3R,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-methylindazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESC[C@@H]1CN(c2c(NC(=O)c3ccc(=O)n(-c4c(F)cccc4F)n3)ccc3c2cnn3C)C[C@@H]1N
InChIInChI=1S/C24H23F2N7O2/c1-13-11-32(12-17(13)27)22-14-10-28-31(2)20(14)8-6-18(22)29-24(35)19-7-9-21(34)33(30-19)23-15(25)4-3-5-16(23)26/h3-10,13,17H,11-12,27H2,1-2H3,(H,29,35)/t13-,17+/m1/s1
InChIKeyNDWLAKVCWQJXBO-DYVFJYSZSA-N
XLogP2.43
TPSA111.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-methylindazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[4-[(3R,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-methylindazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide (CID 168988300) is N-[4-[(3R,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-methylindazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[(3R,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-methylindazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[4-[(3R,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-methylindazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide is C[C@@H]1CN(c2c(NC(=O)c3ccc(=O)n(-c4c(F)cccc4F)n3)ccc3c2cnn3C)C[C@@H]1N.
What is the InChIKey of N-[4-[(3R,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-methylindazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is NDWLAKVCWQJXBO-DYVFJYSZSA-N. The full InChI is InChI=1S/C24H23F2N7O2/c1-13-11-32(12-17(13)27)22-14-10-28-31(2)20(14)8-6-18(22)29-24(35)19-7-9-21(34)33(30-19)23-15(25)4-3-5-16(23)26/h3-10,13,17H,11-12,27H2,1-2H3,(H,29,35)/t13-,17+/m1/s1.
What are the key properties of N-[4-[(3R,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-methylindazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide?
N-[4-[(3R,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-methylindazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 479.49 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-methylindazol-5-yl]-1-(2,6-difluorophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 168988300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).