1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2,4-triazin-5-yl)ethanone

C24H17N9O — CID 153252153

IUPAC1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2,4-triazin-5-yl)ethanone
SMILESO=C(Cc1cnncn1)c1cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2[nH]1
InChIInChI=1S/C24H17N9O/c34-22(10-18-12-27-29-13-26-18)21-8-14-1-2-15(9-20(14)31-21)24-25-6-5-23(32-24)30-17-3-4-19-16(7-17)11-28-33-19/h1-9,11-13,31H,10H2,(H,28,33)(H,25,30,32)
InChIKeyWTNWWONWBUMWMZ-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.86
Rot. Bonds6

About 1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2,4-triazin-5-yl)ethanone

1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2,4-triazin-5-yl)ethanone (PubChem CID 153252153) has the molecular formula C24H17N9O and a molecular weight of 447.46 g/mol. Its IUPAC name is 1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2,4-triazin-5-yl)ethanone.

Molecular Properties

Compound Name1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2,4-triazin-5-yl)ethanone
PubChem CID153252153
Molecular FormulaC24H17N9O
Molecular Weight447.46 g/mol
Exact Mass447.16
IUPAC Name1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2,4-triazin-5-yl)ethanone
SMILESO=C(Cc1cnncn1)c1cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2[nH]1
InChIInChI=1S/C24H17N9O/c34-22(10-18-12-27-29-13-26-18)21-8-14-1-2-15(9-20(14)31-21)24-25-6-5-23(32-24)30-17-3-4-19-16(7-17)11-28-33-19/h1-9,11-13,31H,10H2,(H,28,33)(H,25,30,32)
InChIKeyWTNWWONWBUMWMZ-UHFFFAOYSA-N
XLogP3.86
TPSA138.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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-oxazol-4-yl)ethanone
CID 153259440
1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-[5-(4-methylpiperazin-1-yl)pyridazin-4-yl]ethanone
CID 147177808
N-(3-chloropyridazin-4-yl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137369649
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
2-(1-cyclohexylpiperidin-3-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone
CID 162097987
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)pyrimidin-2-yl]-N-[5-(4-methylpiperazin-1-yl)pyridazin-4-yl]-1H-indole-2-carboxamide
CID 137381918
N-[2-[2-[1-[(6-methylpyridazin-4-yl)amino]ethenyl]-1H-indol-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine
CID 167203032
1-[6-[4-[(4-chloro-1H-indazol-5-yl)amino]pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridazin-4-ylethanone
CID 147565637
N-[2-[2-[1-[[5-(4-methylpiperazin-1-yl)pyridazin-4-yl]amino]ethenyl]-1H-indol-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine
CID 167202857

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2,4-triazin-5-yl)ethanone?
The IUPAC name of 1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2,4-triazin-5-yl)ethanone (CID 153252153) is 1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2,4-triazin-5-yl)ethanone.
What is the SMILES notation for 1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2,4-triazin-5-yl)ethanone?
The canonical SMILES for 1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2,4-triazin-5-yl)ethanone is O=C(Cc1cnncn1)c1cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2[nH]1.
What is the InChIKey of 1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2,4-triazin-5-yl)ethanone?
The InChIKey is WTNWWONWBUMWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N9O/c34-22(10-18-12-27-29-13-26-18)21-8-14-1-2-15(9-20(14)31-21)24-25-6-5-23(32-24)30-17-3-4-19-16(7-17)11-28-33-19/h1-9,11-13,31H,10H2,(H,28,33)(H,25,30,32).
What are the key properties of 1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2,4-triazin-5-yl)ethanone?
1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2,4-triazin-5-yl)ethanone has a molecular weight of 447.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2,4-triazin-5-yl)ethanone is sourced from PubChem (CID 153252153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).