N-[2-(cyclopropylamino)-6-fluorophenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

C18H17FN4O — CID 75379833

IUPACN-[2-(cyclopropylamino)-6-fluorophenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ncccc12)Nc1c(F)cccc1NC1CC1
InChIInChI=1S/C18H17FN4O/c19-14-4-1-5-15(22-12-6-7-12)17(14)23-16(24)9-11-10-21-18-13(11)3-2-8-20-18/h1-5,8,10,12,22H,6-7,9H2,(H,20,21)(H,23,24)
InChIKeyJKACZKLEQLTDII-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.46
Rot. Bonds5

About N-[2-(cyclopropylamino)-6-fluorophenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

N-[2-(cyclopropylamino)-6-fluorophenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 75379833) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-6-fluorophenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-6-fluorophenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID75379833
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC NameN-[2-(cyclopropylamino)-6-fluorophenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ncccc12)Nc1c(F)cccc1NC1CC1
InChIInChI=1S/C18H17FN4O/c19-14-4-1-5-15(22-12-6-7-12)17(14)23-16(24)9-11-10-21-18-13(11)3-2-8-20-18/h1-5,8,10,12,22H,6-7,9H2,(H,20,21)(H,23,24)
InChIKeyJKACZKLEQLTDII-UHFFFAOYSA-N
XLogP3.46
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66414248
N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014081
N-[(2,5-difluorophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144431
N-[2-(cyclopropylamino)-6-fluorophenyl]-4-oxo-1H-1,6-naphthyridine-3-carboxamide
CID 166400062
N-(2-methylpiperidin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 120602247
2-tert-butylsulfanyl-N-[2-(cyclopropylamino)-6-fluorophenyl]acetamide
CID 71970689
N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 166216891
1-(2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea;hydrochloride
CID 68755340
N-(piperidin-3-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119462262
1-[1-[dideuterio(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indol-4-yl]-3-(2-fluorophenyl)urea
CID 56928585
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 120947063
5-cyano-N-[2-(cyclopropylamino)-6-fluorophenyl]pyridine-2-carboxamide
CID 71919813

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-6-fluorophenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-[2-(cyclopropylamino)-6-fluorophenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 75379833) is N-[2-(cyclopropylamino)-6-fluorophenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-6-fluorophenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-[2-(cyclopropylamino)-6-fluorophenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is O=C(Cc1c[nH]c2ncccc12)Nc1c(F)cccc1NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-6-fluorophenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is JKACZKLEQLTDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-14-4-1-5-15(22-12-6-7-12)17(14)23-16(24)9-11-10-21-18-13(11)3-2-8-20-18/h1-5,8,10,12,22H,6-7,9H2,(H,20,21)(H,23,24).
What are the key properties of N-[2-(cyclopropylamino)-6-fluorophenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-[2-(cyclopropylamino)-6-fluorophenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 324.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-6-fluorophenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 75379833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).