N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine

C20H19F4N7O — CID 146662536

IUPACN-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
SMILESFc1cccnc1CNc1nccc2oc(CCNCCc3ncc(C(F)(F)F)[nH]3)nc12
InChIInChI=1S/C20H19F4N7O/c21-12-2-1-6-26-13(12)10-29-19-18-14(3-9-27-19)32-17(31-18)5-8-25-7-4-16-28-11-15(30-16)20(22,23)24/h1-3,6,9,11,25H,4-5,7-8,10H2,(H,27,29)(H,28,30)
InChIKeyQBNMSEVFRQLNLQ-UHFFFAOYSA-N
MW449.41 g/mol
LogP3.49
Rot. Bonds9

About N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine

N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine (PubChem CID 146662536) has the molecular formula C20H19F4N7O and a molecular weight of 449.41 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
PubChem CID146662536
Molecular FormulaC20H19F4N7O
Molecular Weight449.41 g/mol
Exact Mass449.16
IUPAC NameN-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
SMILESFc1cccnc1CNc1nccc2oc(CCNCCc3ncc(C(F)(F)F)[nH]3)nc12
InChIInChI=1S/C20H19F4N7O/c21-12-2-1-6-26-13(12)10-29-19-18-14(3-9-27-19)32-17(31-18)5-8-25-7-4-16-28-11-15(30-16)20(22,23)24/h1-3,6,9,11,25H,4-5,7-8,10H2,(H,27,29)(H,28,30)
InChIKeyQBNMSEVFRQLNLQ-UHFFFAOYSA-N
XLogP3.49
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine (CID 146662536) is N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine is Fc1cccnc1CNc1nccc2oc(CCNCCc3ncc(C(F)(F)F)[nH]3)nc12.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The InChIKey is QBNMSEVFRQLNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N7O/c21-12-2-1-6-26-13(12)10-29-19-18-14(3-9-27-19)32-17(31-18)5-8-25-7-4-16-28-11-15(30-16)20(22,23)24/h1-3,6,9,11,25H,4-5,7-8,10H2,(H,27,29)(H,28,30).
What are the key properties of N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine?
N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine has a molecular weight of 449.41 g/mol, XLogP of 3.49, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 146662536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).