N-[(3-chloro-4-methylazet-2-yl)methyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine

C18H14ClFN4 — CID 144654558

IUPACN-[(3-chloro-4-methylazet-2-yl)methyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESCC1=C(Cl)C(CNc2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)=N1
InChIInChI=1S/C18H14ClFN4/c1-10-17(19)16(23-10)9-21-14-6-12-7-15(24-18(12)22-8-14)11-2-4-13(20)5-3-11/h2-8,21H,9H2,1H3,(H,22,24)
InChIKeyLHQJXMOITCHVOJ-UHFFFAOYSA-N
MW340.79 g/mol
LogP4.71
Rot. Bonds4

About N-[(3-chloro-4-methylazet-2-yl)methyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine

N-[(3-chloro-4-methylazet-2-yl)methyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine (PubChem CID 144654558) has the molecular formula C18H14ClFN4 and a molecular weight of 340.79 g/mol. Its IUPAC name is N-[(3-chloro-4-methylazet-2-yl)methyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylazet-2-yl)methyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
PubChem CID144654558
Molecular FormulaC18H14ClFN4
Molecular Weight340.79 g/mol
Exact Mass340.09
IUPAC NameN-[(3-chloro-4-methylazet-2-yl)methyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESCC1=C(Cl)C(CNc2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)=N1
InChIInChI=1S/C18H14ClFN4/c1-10-17(19)16(23-10)9-21-14-6-12-7-15(24-18(12)22-8-14)11-2-4-13(20)5-3-11/h2-8,21H,9H2,1H3,(H,22,24)
InChIKeyLHQJXMOITCHVOJ-UHFFFAOYSA-N
XLogP4.71
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylazet-2-yl)methyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The IUPAC name of N-[(3-chloro-4-methylazet-2-yl)methyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine (CID 144654558) is N-[(3-chloro-4-methylazet-2-yl)methyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine.
What is the SMILES notation for N-[(3-chloro-4-methylazet-2-yl)methyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The canonical SMILES for N-[(3-chloro-4-methylazet-2-yl)methyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine is CC1=C(Cl)C(CNc2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)=N1.
What is the InChIKey of N-[(3-chloro-4-methylazet-2-yl)methyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The InChIKey is LHQJXMOITCHVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4/c1-10-17(19)16(23-10)9-21-14-6-12-7-15(24-18(12)22-8-14)11-2-4-13(20)5-3-11/h2-8,21H,9H2,1H3,(H,22,24).
What are the key properties of N-[(3-chloro-4-methylazet-2-yl)methyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
N-[(3-chloro-4-methylazet-2-yl)methyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 340.79 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylazet-2-yl)methyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 144654558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).