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

C19H17ClFN5 — CID 24954282

IUPAC5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-amine
SMILESCn1nc(NCc2ccc(F)cc2)cc1Cc1c[nH]c2ncc(Cl)cc12
InChIInChI=1S/C19H17ClFN5/c1-26-16(6-13-10-23-19-17(13)7-14(20)11-24-19)8-18(25-26)22-9-12-2-4-15(21)5-3-12/h2-5,7-8,10-11H,6,9H2,1H3,(H,22,25)(H,23,24)
InChIKeyYRXATFQTDGACHN-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.29
Rot. Bonds5

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

5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-amine (PubChem CID 24954282) has the molecular formula C19H17ClFN5 and a molecular weight of 369.83 g/mol. Its IUPAC name is 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-amine
PubChem CID24954282
Molecular FormulaC19H17ClFN5
Molecular Weight369.83 g/mol
Exact Mass369.12
IUPAC Name5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-amine
SMILESCn1nc(NCc2ccc(F)cc2)cc1Cc1c[nH]c2ncc(Cl)cc12
InChIInChI=1S/C19H17ClFN5/c1-26-16(6-13-10-23-19-17(13)7-14(20)11-24-19)8-18(25-26)22-9-12-2-4-15(21)5-3-12/h2-5,7-8,10-11H,6,9H2,1H3,(H,22,25)(H,23,24)
InChIKeyYRXATFQTDGACHN-UHFFFAOYSA-N
XLogP4.29
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-amine?
The IUPAC name of 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-amine (CID 24954282) is 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-amine is Cn1nc(NCc2ccc(F)cc2)cc1Cc1c[nH]c2ncc(Cl)cc12.
What is the InChIKey of 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-amine?
The InChIKey is YRXATFQTDGACHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5/c1-26-16(6-13-10-23-19-17(13)7-14(20)11-24-19)8-18(25-26)22-9-12-2-4-15(21)5-3-12/h2-5,7-8,10-11H,6,9H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-amine?
5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-amine has a molecular weight of 369.83 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 24954282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).