6-[(2-amino-5-methylhexan-3-yl)amino]-2-[(3-cyclopropyl-1-methylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide

C24H32FN7O — CID 135305672

IUPAC6-[(2-amino-5-methylhexan-3-yl)amino]-2-[(3-cyclopropyl-1-methylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide
SMILESCC(C)CC(Nc1nc(Nc2ccc3c(c2)c(C2CC2)nn3C)c(C(N)=O)cc1F)C(C)N
InChIInChI=1S/C24H32FN7O/c1-12(2)9-19(13(3)26)29-24-18(25)11-17(22(27)33)23(30-24)28-15-7-8-20-16(10-15)21(14-5-6-14)31-32(20)4/h7-8,10-14,19H,5-6,9,26H2,1-4H3,(H2,27,33)(H2,28,29,30)
InChIKeyKRMNTBPFFQRQBQ-UHFFFAOYSA-N
MW453.57 g/mol
LogP4.00
Rot. Bonds9

About 6-[(2-amino-5-methylhexan-3-yl)amino]-2-[(3-cyclopropyl-1-methylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide

6-[(2-amino-5-methylhexan-3-yl)amino]-2-[(3-cyclopropyl-1-methylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide (PubChem CID 135305672) has the molecular formula C24H32FN7O and a molecular weight of 453.57 g/mol. Its IUPAC name is 6-[(2-amino-5-methylhexan-3-yl)amino]-2-[(3-cyclopropyl-1-methylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-amino-5-methylhexan-3-yl)amino]-2-[(3-cyclopropyl-1-methylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide
PubChem CID135305672
Molecular FormulaC24H32FN7O
Molecular Weight453.57 g/mol
Exact Mass453.27
IUPAC Name6-[(2-amino-5-methylhexan-3-yl)amino]-2-[(3-cyclopropyl-1-methylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide
SMILESCC(C)CC(Nc1nc(Nc2ccc3c(c2)c(C2CC2)nn3C)c(C(N)=O)cc1F)C(C)N
InChIInChI=1S/C24H32FN7O/c1-12(2)9-19(13(3)26)29-24-18(25)11-17(22(27)33)23(30-24)28-15-7-8-20-16(10-15)21(14-5-6-14)31-32(20)4/h7-8,10-14,19H,5-6,9,26H2,1-4H3,(H2,27,33)(H2,28,29,30)
InChIKeyKRMNTBPFFQRQBQ-UHFFFAOYSA-N
XLogP4.00
TPSA123.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 54.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-5-methylhexan-3-yl)amino]-2-[(3-cyclopropyl-1-methylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide?
The IUPAC name of 6-[(2-amino-5-methylhexan-3-yl)amino]-2-[(3-cyclopropyl-1-methylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide (CID 135305672) is 6-[(2-amino-5-methylhexan-3-yl)amino]-2-[(3-cyclopropyl-1-methylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-amino-5-methylhexan-3-yl)amino]-2-[(3-cyclopropyl-1-methylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 6-[(2-amino-5-methylhexan-3-yl)amino]-2-[(3-cyclopropyl-1-methylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide is CC(C)CC(Nc1nc(Nc2ccc3c(c2)c(C2CC2)nn3C)c(C(N)=O)cc1F)C(C)N.
What is the InChIKey of 6-[(2-amino-5-methylhexan-3-yl)amino]-2-[(3-cyclopropyl-1-methylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide?
The InChIKey is KRMNTBPFFQRQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN7O/c1-12(2)9-19(13(3)26)29-24-18(25)11-17(22(27)33)23(30-24)28-15-7-8-20-16(10-15)21(14-5-6-14)31-32(20)4/h7-8,10-14,19H,5-6,9,26H2,1-4H3,(H2,27,33)(H2,28,29,30).
What are the key properties of 6-[(2-amino-5-methylhexan-3-yl)amino]-2-[(3-cyclopropyl-1-methylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide?
6-[(2-amino-5-methylhexan-3-yl)amino]-2-[(3-cyclopropyl-1-methylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide has a molecular weight of 453.57 g/mol, XLogP of 4.00, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-5-methylhexan-3-yl)amino]-2-[(3-cyclopropyl-1-methylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 135305672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).