3-(4-amino-2-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;tert-butyl formate

C24H31FN6O2 — CID 146424723

IUPAC3-(4-amino-2-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;tert-butyl formate
SMILESCC(C)(C)OC=O.Nc1ccc(-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1
InChIInChI=1S/C19H21FN6.C5H10O2/c20-18-8-14(21)1-2-16(18)17-7-12(9-24-19(17)22)13-10-25-26(11-13)15-3-5-23-6-4-15;1-5(2,3)7-4-6/h1-2,7-11,15,23H,3-6,21H2,(H2,22,24);4H,1-3H3
InChIKeyAZUQCSTULXARIP-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.80
Rot. Bonds4

About 3-(4-amino-2-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;tert-butyl formate

3-(4-amino-2-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;tert-butyl formate (PubChem CID 146424723) has the molecular formula C24H31FN6O2 and a molecular weight of 454.55 g/mol. Its IUPAC name is 3-(4-amino-2-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;tert-butyl formate.

Molecular Properties

Compound Name3-(4-amino-2-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;tert-butyl formate
PubChem CID146424723
Molecular FormulaC24H31FN6O2
Molecular Weight454.55 g/mol
Exact Mass454.25
IUPAC Name3-(4-amino-2-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;tert-butyl formate
SMILESCC(C)(C)OC=O.Nc1ccc(-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1
InChIInChI=1S/C19H21FN6.C5H10O2/c20-18-8-14(21)1-2-16(18)17-7-12(9-24-19(17)22)13-10-25-26(11-13)15-3-5-23-6-4-15;1-5(2,3)7-4-6/h1-2,7-11,15,23H,3-6,21H2,(H2,22,24);4H,1-3H3
InChIKeyAZUQCSTULXARIP-UHFFFAOYSA-N
XLogP3.80
TPSA121.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;tert-butyl formate?
The IUPAC name of 3-(4-amino-2-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;tert-butyl formate (CID 146424723) is 3-(4-amino-2-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;tert-butyl formate.
What is the SMILES notation for 3-(4-amino-2-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;tert-butyl formate?
The canonical SMILES for 3-(4-amino-2-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;tert-butyl formate is CC(C)(C)OC=O.Nc1ccc(-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1.
What is the InChIKey of 3-(4-amino-2-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;tert-butyl formate?
The InChIKey is AZUQCSTULXARIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6.C5H10O2/c20-18-8-14(21)1-2-16(18)17-7-12(9-24-19(17)22)13-10-25-26(11-13)15-3-5-23-6-4-15;1-5(2,3)7-4-6/h1-2,7-11,15,23H,3-6,21H2,(H2,22,24);4H,1-3H3.
What are the key properties of 3-(4-amino-2-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;tert-butyl formate?
3-(4-amino-2-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;tert-butyl formate has a molecular weight of 454.55 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;tert-butyl formate is sourced from PubChem (CID 146424723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).