6-[(3-amino-1-cyclopropylbutan-2-yl)amino]-2-[(1,3-dimethylindazol-6-yl)amino]-5-fluoropyridine-3-carboxamide

C22H28FN7O — CID 135305674

IUPAC6-[(3-amino-1-cyclopropylbutan-2-yl)amino]-2-[(1,3-dimethylindazol-6-yl)amino]-5-fluoropyridine-3-carboxamide
SMILESCc1nn(C)c2cc(Nc3nc(NC(CC4CC4)C(C)N)c(F)cc3C(N)=O)ccc12
InChIInChI=1S/C22H28FN7O/c1-11(24)18(8-13-4-5-13)27-22-17(23)10-16(20(25)31)21(28-22)26-14-6-7-15-12(2)29-30(3)19(15)9-14/h6-7,9-11,13,18H,4-5,8,24H2,1-3H3,(H2,25,31)(H2,26,27,28)
InChIKeyIXEFBKILOCCSKF-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.19
Rot. Bonds8

About 6-[(3-amino-1-cyclopropylbutan-2-yl)amino]-2-[(1,3-dimethylindazol-6-yl)amino]-5-fluoropyridine-3-carboxamide

6-[(3-amino-1-cyclopropylbutan-2-yl)amino]-2-[(1,3-dimethylindazol-6-yl)amino]-5-fluoropyridine-3-carboxamide (PubChem CID 135305674) has the molecular formula C22H28FN7O and a molecular weight of 425.51 g/mol. Its IUPAC name is 6-[(3-amino-1-cyclopropylbutan-2-yl)amino]-2-[(1,3-dimethylindazol-6-yl)amino]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-amino-1-cyclopropylbutan-2-yl)amino]-2-[(1,3-dimethylindazol-6-yl)amino]-5-fluoropyridine-3-carboxamide
PubChem CID135305674
Molecular FormulaC22H28FN7O
Molecular Weight425.51 g/mol
Exact Mass425.23
IUPAC Name6-[(3-amino-1-cyclopropylbutan-2-yl)amino]-2-[(1,3-dimethylindazol-6-yl)amino]-5-fluoropyridine-3-carboxamide
SMILESCc1nn(C)c2cc(Nc3nc(NC(CC4CC4)C(C)N)c(F)cc3C(N)=O)ccc12
InChIInChI=1S/C22H28FN7O/c1-11(24)18(8-13-4-5-13)27-22-17(23)10-16(20(25)31)21(28-22)26-14-6-7-15-12(2)29-30(3)19(15)9-14/h6-7,9-11,13,18H,4-5,8,24H2,1-3H3,(H2,25,31)(H2,26,27,28)
InChIKeyIXEFBKILOCCSKF-UHFFFAOYSA-N
XLogP3.19
TPSA123.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-amino-1-cyclopropylbutan-2-yl)amino]-2-[(1,3-dimethylindazol-6-yl)amino]-5-fluoropyridine-3-carboxamide?
The IUPAC name of 6-[(3-amino-1-cyclopropylbutan-2-yl)amino]-2-[(1,3-dimethylindazol-6-yl)amino]-5-fluoropyridine-3-carboxamide (CID 135305674) is 6-[(3-amino-1-cyclopropylbutan-2-yl)amino]-2-[(1,3-dimethylindazol-6-yl)amino]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-amino-1-cyclopropylbutan-2-yl)amino]-2-[(1,3-dimethylindazol-6-yl)amino]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 6-[(3-amino-1-cyclopropylbutan-2-yl)amino]-2-[(1,3-dimethylindazol-6-yl)amino]-5-fluoropyridine-3-carboxamide is Cc1nn(C)c2cc(Nc3nc(NC(CC4CC4)C(C)N)c(F)cc3C(N)=O)ccc12.
What is the InChIKey of 6-[(3-amino-1-cyclopropylbutan-2-yl)amino]-2-[(1,3-dimethylindazol-6-yl)amino]-5-fluoropyridine-3-carboxamide?
The InChIKey is IXEFBKILOCCSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN7O/c1-11(24)18(8-13-4-5-13)27-22-17(23)10-16(20(25)31)21(28-22)26-14-6-7-15-12(2)29-30(3)19(15)9-14/h6-7,9-11,13,18H,4-5,8,24H2,1-3H3,(H2,25,31)(H2,26,27,28).
What are the key properties of 6-[(3-amino-1-cyclopropylbutan-2-yl)amino]-2-[(1,3-dimethylindazol-6-yl)amino]-5-fluoropyridine-3-carboxamide?
6-[(3-amino-1-cyclopropylbutan-2-yl)amino]-2-[(1,3-dimethylindazol-6-yl)amino]-5-fluoropyridine-3-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 3.19, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-amino-1-cyclopropylbutan-2-yl)amino]-2-[(1,3-dimethylindazol-6-yl)amino]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 135305674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).