6-[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide

C25H16F3N9O — CID 137370324

IUPAC6-[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide
SMILESO=C(Nc1ccnnc1)c1cc2ccc(-c3ncc(C(F)(F)F)c(Nc4ccc5[nH]ncc5c4)n3)cc2[nH]1
InChIInChI=1S/C25H16F3N9O/c26-25(27,28)18-12-29-22(36-23(18)33-16-3-4-19-15(7-16)10-32-37-19)14-2-1-13-8-21(35-20(13)9-14)24(38)34-17-5-6-30-31-11-17/h1-12,35H,(H,32,37)(H,29,33,36)(H,30,34,38)
InChIKeyTWVUJWBXFJWDDM-UHFFFAOYSA-N
MW515.46 g/mol
LogP5.31
Rot. Bonds5

About 6-[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide

6-[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide (PubChem CID 137370324) has the molecular formula C25H16F3N9O and a molecular weight of 515.46 g/mol. Its IUPAC name is 6-[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide
PubChem CID137370324
Molecular FormulaC25H16F3N9O
Molecular Weight515.46 g/mol
Exact Mass515.14
IUPAC Name6-[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide
SMILESO=C(Nc1ccnnc1)c1cc2ccc(-c3ncc(C(F)(F)F)c(Nc4ccc5[nH]ncc5c4)n3)cc2[nH]1
InChIInChI=1S/C25H16F3N9O/c26-25(27,28)18-12-29-22(36-23(18)33-16-3-4-19-15(7-16)10-32-37-19)14-2-1-13-8-21(35-20(13)9-14)24(38)34-17-5-6-30-31-11-17/h1-12,35H,(H,32,37)(H,29,33,36)(H,30,34,38)
InChIKeyTWVUJWBXFJWDDM-UHFFFAOYSA-N
XLogP5.31
TPSA137.16 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.46
LogP ≤ 55.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide
CID 137369561
6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[3-(trifluoromethyl)pyridazin-4-yl]-1H-indole-2-carboxamide
CID 137382052
6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-yl-1-benzothiophene-2-carboxamide
CID 137369535
N-(3-chloropyridazin-4-yl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137369649
6-[4-[[3-(dimethylamino)-1H-indazol-5-yl]amino]pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide
CID 137387756
6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[5-(4-methylpiperazin-1-yl)pyridazin-4-yl]-1H-indole-2-carboxamide
CID 137381918
6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indole-2-carboxamide
CID 137379383
N-[5-fluoro-2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 166862856
2-(5-chloropyridazin-4-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone
CID 147495090
1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2,4-triazin-5-yl)ethanone
CID 153252153
N-[(1E,3Z)-1,4-diaminopenta-1,3-dien-2-yl]-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 166862949
6-[4-(1H-indazol-5-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 137381903

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide?
The IUPAC name of 6-[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide (CID 137370324) is 6-[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide?
The canonical SMILES for 6-[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide is O=C(Nc1ccnnc1)c1cc2ccc(-c3ncc(C(F)(F)F)c(Nc4ccc5[nH]ncc5c4)n3)cc2[nH]1.
What is the InChIKey of 6-[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide?
The InChIKey is TWVUJWBXFJWDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N9O/c26-25(27,28)18-12-29-22(36-23(18)33-16-3-4-19-15(7-16)10-32-37-19)14-2-1-13-8-21(35-20(13)9-14)24(38)34-17-5-6-30-31-11-17/h1-12,35H,(H,32,37)(H,29,33,36)(H,30,34,38).
What are the key properties of 6-[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide?
6-[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide has a molecular weight of 515.46 g/mol, XLogP of 5.31, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 137370324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).