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

C24H17N9O — CID 137369561

IUPAC5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide
SMILESO=C(Nc1ccnnc1)c1cc2cc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)ccc2[nH]1
InChIInChI=1S/C24H17N9O/c34-24(30-18-5-8-26-27-13-18)21-11-15-9-14(1-3-19(15)31-21)23-25-7-6-22(32-23)29-17-2-4-20-16(10-17)12-28-33-20/h1-13,31H,(H,28,33)(H,25,29,32)(H,26,30,34)
InChIKeyURQJDJJATVRKRX-UHFFFAOYSA-N
MW447.46 g/mol
LogP4.29
Rot. Bonds5

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

5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide (PubChem CID 137369561) has the molecular formula C24H17N9O and a molecular weight of 447.46 g/mol. Its IUPAC name is 5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide
PubChem CID137369561
Molecular FormulaC24H17N9O
Molecular Weight447.46 g/mol
Exact Mass447.16
IUPAC Name5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide
SMILESO=C(Nc1ccnnc1)c1cc2cc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)ccc2[nH]1
InChIInChI=1S/C24H17N9O/c34-24(30-18-5-8-26-27-13-18)21-11-15-9-14(1-3-19(15)31-21)23-25-7-6-22(32-23)29-17-2-4-20-16(10-17)12-28-33-20/h1-13,31H,(H,28,33)(H,25,29,32)(H,26,30,34)
InChIKeyURQJDJJATVRKRX-UHFFFAOYSA-N
XLogP4.29
TPSA137.16 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

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)-5-(trifluoromethyl)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide
CID 137370324
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-[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
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
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-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-[5-(4-methylpiperazin-1-yl)pyridazin-4-yl]ethanone
CID 147177808

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide?
The IUPAC name of 5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide (CID 137369561) is 5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide?
The canonical SMILES for 5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide is O=C(Nc1ccnnc1)c1cc2cc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)ccc2[nH]1.
What is the InChIKey of 5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide?
The InChIKey is URQJDJJATVRKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N9O/c34-24(30-18-5-8-26-27-13-18)21-11-15-9-14(1-3-19(15)31-21)23-25-7-6-22(32-23)29-17-2-4-20-16(10-17)12-28-33-20/h1-13,31H,(H,28,33)(H,25,29,32)(H,26,30,34).
What are the key properties of 5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide?
5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide has a molecular weight of 447.46 g/mol, XLogP of 4.29, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 137369561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).