6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide

C20H26FN7O — CID 135305660

IUPAC6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide
SMILESCCC(N)C(CC)Nc1nc(Nc2ccc3c(cnn3C)c2)c(C(N)=O)cc1F
InChIInChI=1S/C20H26FN7O/c1-4-15(22)16(5-2)26-20-14(21)9-13(18(23)29)19(27-20)25-12-6-7-17-11(8-12)10-24-28(17)3/h6-10,15-16H,4-5,22H2,1-3H3,(H2,23,29)(H2,25,26,27)
InChIKeyMYPCJOCXAQVXPR-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.88
Rot. Bonds8

About 6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide

6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide (PubChem CID 135305660) has the molecular formula C20H26FN7O and a molecular weight of 399.47 g/mol. Its IUPAC name is 6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide
PubChem CID135305660
Molecular FormulaC20H26FN7O
Molecular Weight399.47 g/mol
Exact Mass399.22
IUPAC Name6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide
SMILESCCC(N)C(CC)Nc1nc(Nc2ccc3c(cnn3C)c2)c(C(N)=O)cc1F
InChIInChI=1S/C20H26FN7O/c1-4-15(22)16(5-2)26-20-14(21)9-13(18(23)29)19(27-20)25-12-6-7-17-11(8-12)10-24-28(17)3/h6-10,15-16H,4-5,22H2,1-3H3,(H2,23,29)(H2,25,26,27)
InChIKeyMYPCJOCXAQVXPR-UHFFFAOYSA-N
XLogP2.88
TPSA123.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide (CID 135305660) is 6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide is CCC(N)C(CC)Nc1nc(Nc2ccc3c(cnn3C)c2)c(C(N)=O)cc1F.
What is the InChIKey of 6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide?
The InChIKey is MYPCJOCXAQVXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN7O/c1-4-15(22)16(5-2)26-20-14(21)9-13(18(23)29)19(27-20)25-12-6-7-17-11(8-12)10-24-28(17)3/h6-10,15-16H,4-5,22H2,1-3H3,(H2,23,29)(H2,25,26,27).
What are the key properties of 6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide?
6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 2.88, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 135305660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).