6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide

C19H24FN7O — CID 135305750

IUPAC6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide
SMILESCCn1ncc2cc(Nc3nc(NC(C)C(C)N)c(F)cc3C(N)=O)ccc21
InChIInChI=1S/C19H24FN7O/c1-4-27-16-6-5-13(7-12(16)9-23-27)25-18-14(17(22)28)8-15(20)19(26-18)24-11(3)10(2)21/h5-11H,4,21H2,1-3H3,(H2,22,28)(H2,24,25,26)
InChIKeyGXEBISJKMWMVJT-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.58
Rot. Bonds7

About 6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide

6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide (PubChem CID 135305750) has the molecular formula C19H24FN7O and a molecular weight of 385.45 g/mol. Its IUPAC name is 6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide
PubChem CID135305750
Molecular FormulaC19H24FN7O
Molecular Weight385.45 g/mol
Exact Mass385.20
IUPAC Name6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide
SMILESCCn1ncc2cc(Nc3nc(NC(C)C(C)N)c(F)cc3C(N)=O)ccc21
InChIInChI=1S/C19H24FN7O/c1-4-27-16-6-5-13(7-12(16)9-23-27)25-18-14(17(22)28)8-15(20)19(26-18)24-11(3)10(2)21/h5-11H,4,21H2,1-3H3,(H2,22,28)(H2,24,25,26)
InChIKeyGXEBISJKMWMVJT-UHFFFAOYSA-N
XLogP2.58
TPSA123.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide?
The IUPAC name of 6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide (CID 135305750) is 6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide is CCn1ncc2cc(Nc3nc(NC(C)C(C)N)c(F)cc3C(N)=O)ccc21.
What is the InChIKey of 6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide?
The InChIKey is GXEBISJKMWMVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN7O/c1-4-27-16-6-5-13(7-12(16)9-23-27)25-18-14(17(22)28)8-15(20)19(26-18)24-11(3)10(2)21/h5-11H,4,21H2,1-3H3,(H2,22,28)(H2,24,25,26).
What are the key properties of 6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide?
6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.58, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 135305750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).