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2-(1-ethyl-2-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine

C24H22N6 — CID 146588444

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(1-ethyl-2-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine
SMILESCCn1c(C)cc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]c5)cc4)n3)cc21
InChIInChI=1S/C24H22N6/c1-3-30-16(2)12-18-4-5-19(13-22(18)30)24-25-11-10-23(29-24)28-21-8-6-17(7-9-21)20-14-26-27-15-20/h4-15H,3H2,1-2H3,(H,26,27)(H,25,28,29)
InChIKeyQCMFJJCWAOFBLU-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.56
Rot. Bonds5

About 2-(1-ethyl-2-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine

2-(1-ethyl-2-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine (PubChem CID 146588444) has the molecular formula C24H22N6 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-(1-ethyl-2-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethyl-2-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine
PubChem CID146588444
Molecular FormulaC24H22N6
Molecular Weight394.48 g/mol
Exact Mass394.19
IUPAC Name2-(1-ethyl-2-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine
SMILESCCn1c(C)cc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]c5)cc4)n3)cc21
InChIInChI=1S/C24H22N6/c1-3-30-16(2)12-18-4-5-19(13-22(18)30)24-25-11-10-23(29-24)28-21-8-6-17(7-9-21)20-14-26-27-15-20/h4-15H,3H2,1-2H3,(H,26,27)(H,25,28,29)
InChIKeyQCMFJJCWAOFBLU-UHFFFAOYSA-N
XLogP5.56
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-(1-ethyl-2-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine (CID 146588444) is 2-(1-ethyl-2-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethyl-2-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-(1-ethyl-2-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine is CCn1c(C)cc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]c5)cc4)n3)cc21.
What is the InChIKey of 2-(1-ethyl-2-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine?
The InChIKey is QCMFJJCWAOFBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6/c1-3-30-16(2)12-18-4-5-19(13-22(18)30)24-25-11-10-23(29-24)28-21-8-6-17(7-9-21)20-14-26-27-15-20/h4-15H,3H2,1-2H3,(H,26,27)(H,25,28,29).
What are the key properties of 2-(1-ethyl-2-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine?
2-(1-ethyl-2-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine has a molecular weight of 394.48 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 146588444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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