N-[(4-fluorophenyl)methyl]-N,2,3-trimethyl-1-pent-4-ynylpyrrolo[2,3-c]pyridin-7-amine

C22H24FN3 — CID 87285047

IUPACN-[(4-fluorophenyl)methyl]-N,2,3-trimethyl-1-pent-4-ynylpyrrolo[2,3-c]pyridin-7-amine
SMILESC#CCCCn1c(C)c(C)c2ccnc(N(C)Cc3ccc(F)cc3)c21
InChIInChI=1S/C22H24FN3/c1-5-6-7-14-26-17(3)16(2)20-12-13-24-22(21(20)26)25(4)15-18-8-10-19(23)11-9-18/h1,8-13H,6-7,14-15H2,2-4H3
InChIKeyPZMZAMPJUHEEGI-UHFFFAOYSA-N
MW349.45 g/mol
LogP4.84
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N,2,3-trimethyl-1-pent-4-ynylpyrrolo[2,3-c]pyridin-7-amine

N-[(4-fluorophenyl)methyl]-N,2,3-trimethyl-1-pent-4-ynylpyrrolo[2,3-c]pyridin-7-amine (PubChem CID 87285047) has the molecular formula C22H24FN3 and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N,2,3-trimethyl-1-pent-4-ynylpyrrolo[2,3-c]pyridin-7-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N,2,3-trimethyl-1-pent-4-ynylpyrrolo[2,3-c]pyridin-7-amine
PubChem CID87285047
Molecular FormulaC22H24FN3
Molecular Weight349.45 g/mol
Exact Mass349.20
IUPAC NameN-[(4-fluorophenyl)methyl]-N,2,3-trimethyl-1-pent-4-ynylpyrrolo[2,3-c]pyridin-7-amine
SMILESC#CCCCn1c(C)c(C)c2ccnc(N(C)Cc3ccc(F)cc3)c21
InChIInChI=1S/C22H24FN3/c1-5-6-7-14-26-17(3)16(2)20-12-13-24-22(21(20)26)25(4)15-18-8-10-19(23)11-9-18/h1,8-13H,6-7,14-15H2,2-4H3
InChIKeyPZMZAMPJUHEEGI-UHFFFAOYSA-N
XLogP4.84
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N,2,3-trimethyl-1-pent-4-ynylpyrrolo[2,3-c]pyridin-7-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N,2,3-trimethyl-1-pent-4-ynylpyrrolo[2,3-c]pyridin-7-amine (CID 87285047) is N-[(4-fluorophenyl)methyl]-N,2,3-trimethyl-1-pent-4-ynylpyrrolo[2,3-c]pyridin-7-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N,2,3-trimethyl-1-pent-4-ynylpyrrolo[2,3-c]pyridin-7-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N,2,3-trimethyl-1-pent-4-ynylpyrrolo[2,3-c]pyridin-7-amine is C#CCCCn1c(C)c(C)c2ccnc(N(C)Cc3ccc(F)cc3)c21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N,2,3-trimethyl-1-pent-4-ynylpyrrolo[2,3-c]pyridin-7-amine?
The InChIKey is PZMZAMPJUHEEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3/c1-5-6-7-14-26-17(3)16(2)20-12-13-24-22(21(20)26)25(4)15-18-8-10-19(23)11-9-18/h1,8-13H,6-7,14-15H2,2-4H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N,2,3-trimethyl-1-pent-4-ynylpyrrolo[2,3-c]pyridin-7-amine?
N-[(4-fluorophenyl)methyl]-N,2,3-trimethyl-1-pent-4-ynylpyrrolo[2,3-c]pyridin-7-amine has a molecular weight of 349.45 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N,2,3-trimethyl-1-pent-4-ynylpyrrolo[2,3-c]pyridin-7-amine is sourced from PubChem (CID 87285047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).