azane;4-[3-(2-methyl-1,3-dihydroinden-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine

C22H22N4 — CID 126623699

IUPACazane;4-[3-(2-methyl-1,3-dihydroinden-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC1(c2cccc(-c3ncnc4[nH]ccc34)c2)Cc2ccccc2C1.N
InChIInChI=1S/C22H19N3.H3N/c1-22(12-16-5-2-3-6-17(16)13-22)18-8-4-7-15(11-18)20-19-9-10-23-21(19)25-14-24-20;/h2-11,14H,12-13H2,1H3,(H,23,24,25);1H3
InChIKeyINWGISDDEBJLHT-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.84
Rot. Bonds2

About azane;4-[3-(2-methyl-1,3-dihydroinden-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine

azane;4-[3-(2-methyl-1,3-dihydroinden-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 126623699) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is azane;4-[3-(2-methyl-1,3-dihydroinden-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Nameazane;4-[3-(2-methyl-1,3-dihydroinden-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID126623699
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Nameazane;4-[3-(2-methyl-1,3-dihydroinden-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC1(c2cccc(-c3ncnc4[nH]ccc34)c2)Cc2ccccc2C1.N
InChIInChI=1S/C22H19N3.H3N/c1-22(12-16-5-2-3-6-17(16)13-22)18-8-4-7-15(11-18)20-19-9-10-23-21(19)25-14-24-20;/h2-11,14H,12-13H2,1H3,(H,23,24,25);1H3
InChIKeyINWGISDDEBJLHT-UHFFFAOYSA-N
XLogP4.84
TPSA76.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(aminomethyl)-2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1,3-dihydroinden-5-yl]-N,N-dimethylaniline
CID 126616640
[5-(3-fluorophenyl)-2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1,3-dihydroinden-2-yl]methanamine
CID 126616723
N-[[6-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methyl]acetamide
CID 126616914
3-oxo-1-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-2H-indene-1-carbonitrile
CID 126616759
4-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 74221294
2-(aminomethyl)-N-(2-methoxyethyl)-2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1,3-dihydroinden-5-amine
CID 126617018
4-[3-(2-amino-1,3-dihydroinden-2-yl)phenyl]-N-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 126656395
[2-[6-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-pyridinyl]-1,3-dihydroinden-2-yl]methanamine
CID 126616965
6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 166509629
4-[3-(1-pyrrolidin-1-ylethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 50980934
(3S)-1-[[2-(aminomethyl)-2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1,3-dihydroinden-5-yl]methyl]pyrrolidine-3-carboxamide
CID 126616802
2-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide
CID 167773837

Frequently Asked Questions

What is the IUPAC name of azane;4-[3-(2-methyl-1,3-dihydroinden-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of azane;4-[3-(2-methyl-1,3-dihydroinden-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine (CID 126623699) is azane;4-[3-(2-methyl-1,3-dihydroinden-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for azane;4-[3-(2-methyl-1,3-dihydroinden-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for azane;4-[3-(2-methyl-1,3-dihydroinden-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine is CC1(c2cccc(-c3ncnc4[nH]ccc34)c2)Cc2ccccc2C1.N.
What is the InChIKey of azane;4-[3-(2-methyl-1,3-dihydroinden-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is INWGISDDEBJLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3.H3N/c1-22(12-16-5-2-3-6-17(16)13-22)18-8-4-7-15(11-18)20-19-9-10-23-21(19)25-14-24-20;/h2-11,14H,12-13H2,1H3,(H,23,24,25);1H3.
What are the key properties of azane;4-[3-(2-methyl-1,3-dihydroinden-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine?
azane;4-[3-(2-methyl-1,3-dihydroinden-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 342.45 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-[3-(2-methyl-1,3-dihydroinden-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 126623699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).