2-(1H-indol-3-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide

C25H21N7O — CID 122315814

IUPAC2-(1H-indol-3-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1
InChIInChI=1S/C25H21N7O/c33-25(13-17-15-27-21-6-2-1-5-20(17)21)31-19-10-8-18(9-11-19)30-23-14-24(29-16-28-23)32-22-7-3-4-12-26-22/h1-12,14-16,27H,13H2,(H,31,33)(H2,26,28,29,30,32)
InChIKeyKYWDTFYLYYCSRQ-UHFFFAOYSA-N
MW435.49 g/mol
LogP5.02
Rot. Bonds7

About 2-(1H-indol-3-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide

2-(1H-indol-3-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 122315814) has the molecular formula C25H21N7O and a molecular weight of 435.49 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID122315814
Molecular FormulaC25H21N7O
Molecular Weight435.49 g/mol
Exact Mass435.18
IUPAC Name2-(1H-indol-3-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1
InChIInChI=1S/C25H21N7O/c33-25(13-17-15-27-21-6-2-1-5-20(17)21)31-19-10-8-18(9-11-19)30-23-14-24(29-16-28-23)32-22-7-3-4-12-26-22/h1-12,14-16,27H,13H2,(H,31,33)(H2,26,28,29,30,32)
InChIKeyKYWDTFYLYYCSRQ-UHFFFAOYSA-N
XLogP5.02
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.49
LogP ≤ 55.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-(1H-indol-3-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

2-(4-fluorophenyl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122315816
2-(4-chlorophenyl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122315807
2-(1H-indol-3-yl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990361
N-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113018608
2-pyrazol-1-yl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316044
2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 47051345
N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide
CID 170716792
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316019
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 122317010
2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide
CID 113045828
2-(6-oxopyridazin-1-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316049

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 122315814) is 2-(1H-indol-3-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide is O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is KYWDTFYLYYCSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O/c33-25(13-17-15-27-21-6-2-1-5-20(17)21)31-19-10-8-18(9-11-19)30-23-14-24(29-16-28-23)32-22-7-3-4-12-26-22/h1-12,14-16,27H,13H2,(H,31,33)(H2,26,28,29,30,32).
What are the key properties of 2-(1H-indol-3-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
2-(1H-indol-3-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 435.49 g/mol, XLogP of 5.02, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 122315814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).