2-methyl-N-[2-[2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1,3-dihydroinden-2-yl]ethyl]propanamide

C27H28N4O — CID 126616783

IUPAC2-methyl-N-[2-[2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1,3-dihydroinden-2-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCCC1(c2cccc(-c3ncnc4[nH]ccc34)c2)Cc2ccccc2C1
InChIInChI=1S/C27H28N4O/c1-18(2)26(32)29-13-11-27(15-20-6-3-4-7-21(20)16-27)22-9-5-8-19(14-22)24-23-10-12-28-25(23)31-17-30-24/h3-10,12,14,17-18H,11,13,15-16H2,1-2H3,(H,29,32)(H,28,30,31)
InChIKeyYXJFZWXCRFSKCD-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.82
Rot. Bonds6

About 2-methyl-N-[2-[2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1,3-dihydroinden-2-yl]ethyl]propanamide

2-methyl-N-[2-[2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1,3-dihydroinden-2-yl]ethyl]propanamide (PubChem CID 126616783) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1,3-dihydroinden-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1,3-dihydroinden-2-yl]ethyl]propanamide
PubChem CID126616783
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name2-methyl-N-[2-[2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1,3-dihydroinden-2-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCCC1(c2cccc(-c3ncnc4[nH]ccc34)c2)Cc2ccccc2C1
InChIInChI=1S/C27H28N4O/c1-18(2)26(32)29-13-11-27(15-20-6-3-4-7-21(20)16-27)22-9-5-8-19(14-22)24-23-10-12-28-25(23)31-17-30-24/h3-10,12,14,17-18H,11,13,15-16H2,1-2H3,(H,29,32)(H,28,30,31)
InChIKeyYXJFZWXCRFSKCD-UHFFFAOYSA-N
XLogP4.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Gsk-1070916
CID 46885626
1-H-Pyrrolo[2,3-B]pyridine-4-Carboxylic Acid [4-(3h-Imidazo[4,5-C]pyridin-2-Yl)-9h-Fluoren-9-Yl]-Amide
CID 53389265
JAK3 inhibitor 34
CID 137321160
[(1S)-1-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydroinden-1-yl]cyanamide
CID 137349398
SR7826
CID 45381385
4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
CID 74221357
6-(2-{3-(Aminomethyl)-5-[2-(1h-Pyrrolo[2,3-B]pyridin-6-Yl)ethyl]phenyl}ethyl)-4-Methylpyridin-2-Amine
CID 86346622
2-((4,6-Dimethylpyridin-2-yl)amino)-N-(2-(2-methyl-1H-indol-3-yl)ethyl)pyrimidine-5-carboxamide
CID 145996528
N-(4-((2-cyano-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methyl)phenyl)acetamide
CID 44444217
N-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]acetamide
CID 54063522
N-[3-(7H-Pyrrolo[2,3-D]pyrimidin-4-YL)phenyl]-2-propenamide
CID 132277003
2-(benzylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
CID 135962807

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1,3-dihydroinden-2-yl]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1,3-dihydroinden-2-yl]ethyl]propanamide (CID 126616783) is 2-methyl-N-[2-[2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1,3-dihydroinden-2-yl]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1,3-dihydroinden-2-yl]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1,3-dihydroinden-2-yl]ethyl]propanamide is CC(C)C(=O)NCCC1(c2cccc(-c3ncnc4[nH]ccc34)c2)Cc2ccccc2C1.
What is the InChIKey of 2-methyl-N-[2-[2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1,3-dihydroinden-2-yl]ethyl]propanamide?
The InChIKey is YXJFZWXCRFSKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-18(2)26(32)29-13-11-27(15-20-6-3-4-7-21(20)16-27)22-9-5-8-19(14-22)24-23-10-12-28-25(23)31-17-30-24/h3-10,12,14,17-18H,11,13,15-16H2,1-2H3,(H,29,32)(H,28,30,31).
What are the key properties of 2-methyl-N-[2-[2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1,3-dihydroinden-2-yl]ethyl]propanamide?
2-methyl-N-[2-[2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1,3-dihydroinden-2-yl]ethyl]propanamide has a molecular weight of 424.55 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1,3-dihydroinden-2-yl]ethyl]propanamide is sourced from PubChem (CID 126616783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).