N-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide

C24H22F2N8O2 — CID 118382347

IUPACN-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccnc(N5CC(F)(F)C5)c4)c3c2)c1
InChIInChI=1S/C24H22F2N8O2/c1-33(2)23(36)30-17-7-15(10-27-11-17)14-3-4-19-18(8-14)21(32-31-19)22(35)29-16-5-6-28-20(9-16)34-12-24(25,26)13-34/h3-11H,12-13H2,1-2H3,(H,30,36)(H,31,32)(H,28,29,35)
InChIKeyCPFVAAQWQKWEPQ-UHFFFAOYSA-N
MW492.49 g/mol
LogP3.82
Rot. Bonds5

About N-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide

N-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118382347) has the molecular formula C24H22F2N8O2 and a molecular weight of 492.49 g/mol. Its IUPAC name is N-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID118382347
Molecular FormulaC24H22F2N8O2
Molecular Weight492.49 g/mol
Exact Mass492.18
IUPAC NameN-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccnc(N5CC(F)(F)C5)c4)c3c2)c1
InChIInChI=1S/C24H22F2N8O2/c1-33(2)23(36)30-17-7-15(10-27-11-17)14-3-4-19-18(8-14)21(32-31-19)22(35)29-16-5-6-28-20(9-16)34-12-24(25,26)13-34/h3-11H,12-13H2,1-2H3,(H,30,36)(H,31,32)(H,28,29,35)
InChIKeyCPFVAAQWQKWEPQ-UHFFFAOYSA-N
XLogP3.82
TPSA119.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.49
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 89459134
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide
CID 118390947
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1H-indazole-3-carboxamide
CID 118381614
N-[2-(azetidin-1-yl)-4-pyridinyl]-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381679
N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458806
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451293
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89458344
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrimidin-5-yl]-1H-indazole-3-carboxamide
CID 159975834
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382368
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458952
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(azetidin-1-yl)-4-pyridinyl]-1H-indazole-3-carboxamide
CID 118382339
N-[2-(azetidin-1-yl)-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381971

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118382347) is N-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide is CN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccnc(N5CC(F)(F)C5)c4)c3c2)c1.
What is the InChIKey of N-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is CPFVAAQWQKWEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N8O2/c1-33(2)23(36)30-17-7-15(10-27-11-17)14-3-4-19-18(8-14)21(32-31-19)22(35)29-16-5-6-28-20(9-16)34-12-24(25,26)13-34/h3-11H,12-13H2,1-2H3,(H,30,36)(H,31,32)(H,28,29,35).
What are the key properties of N-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 492.49 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).