tert-butyl (3R,4R)-4-[[5-carbamoyl-3-fluoro-6-[(1-methylindazol-5-yl)amino]-2-pyridinyl]amino]-3-ethylpentanoate

C25H33FN6O3 — CID 147863066

IUPACtert-butyl (3R,4R)-4-[[5-carbamoyl-3-fluoro-6-[(1-methylindazol-5-yl)amino]-2-pyridinyl]amino]-3-ethylpentanoate
SMILESCC[C@H](CC(=O)OC(C)(C)C)[C@@H](C)Nc1nc(Nc2ccc3c(cnn3C)c2)c(C(N)=O)cc1F
InChIInChI=1S/C25H33FN6O3/c1-7-15(11-21(33)35-25(3,4)5)14(2)29-24-19(26)12-18(22(27)34)23(31-24)30-17-8-9-20-16(10-17)13-28-32(20)6/h8-10,12-15H,7,11H2,1-6H3,(H2,27,34)(H2,29,30,31)/t14-,15-/m1/s1
InChIKeyHXBYLJDKOVCQRQ-HUUCEWRRSA-N
MW484.58 g/mol
LogP4.51
Rot. Bonds9

About tert-butyl (3R,4R)-4-[[5-carbamoyl-3-fluoro-6-[(1-methylindazol-5-yl)amino]-2-pyridinyl]amino]-3-ethylpentanoate

tert-butyl (3R,4R)-4-[[5-carbamoyl-3-fluoro-6-[(1-methylindazol-5-yl)amino]-2-pyridinyl]amino]-3-ethylpentanoate (PubChem CID 147863066) has the molecular formula C25H33FN6O3 and a molecular weight of 484.58 g/mol. Its IUPAC name is tert-butyl (3R,4R)-4-[[5-carbamoyl-3-fluoro-6-[(1-methylindazol-5-yl)amino]-2-pyridinyl]amino]-3-ethylpentanoate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-4-[[5-carbamoyl-3-fluoro-6-[(1-methylindazol-5-yl)amino]-2-pyridinyl]amino]-3-ethylpentanoate
PubChem CID147863066
Molecular FormulaC25H33FN6O3
Molecular Weight484.58 g/mol
Exact Mass484.26
IUPAC Nametert-butyl (3R,4R)-4-[[5-carbamoyl-3-fluoro-6-[(1-methylindazol-5-yl)amino]-2-pyridinyl]amino]-3-ethylpentanoate
SMILESCC[C@H](CC(=O)OC(C)(C)C)[C@@H](C)Nc1nc(Nc2ccc3c(cnn3C)c2)c(C(N)=O)cc1F
InChIInChI=1S/C25H33FN6O3/c1-7-15(11-21(33)35-25(3,4)5)14(2)29-24-19(26)12-18(22(27)34)23(31-24)30-17-8-9-20-16(10-17)13-28-32(20)6/h8-10,12-15H,7,11H2,1-6H3,(H2,27,34)(H2,29,30,31)/t14-,15-/m1/s1
InChIKeyHXBYLJDKOVCQRQ-HUUCEWRRSA-N
XLogP4.51
TPSA124.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze tert-butyl (3R,4R)-4-[[5-carbamoyl-3-fluoro-6-[(1-methylindazol-5-yl)amino]-2-pyridinyl]amino]-3-ethylpentanoate with MolForge

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Launch Full Analysis

Related Compounds

6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide
CID 135305660
6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide
CID 135305750
N-[2-[[5-(1-aminoethenyl)-6-[(1-ethylindazol-5-yl)amino]-3-fluoro-2-pyridinyl]amino]butyl]-3,3-dimethylbutanamide
CID 134187791
6-(3-carbamoylpentan-2-ylamino)-5-fluoro-2-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 123699553
tert-butyl (3R,4R)-4-[[5-carbamoyl-3-fluoro-6-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)amino]-2-pyridinyl]amino]-3-methyl-5-phenylpentanoate
CID 152953987
6-[(2-amino-5-methylhexan-3-yl)amino]-2-[(3-cyclopropyl-1-methylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide
CID 135305672
6-(2-aminopentan-3-ylamino)-5-fluoro-2-[[6-methoxy-5-(triazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
CID 135305755
tert-butyl (4S)-4-[[5-cyano-6-[(1-ethylindazol-5-yl)amino]-3-fluoro-2-pyridinyl]amino]-5-phenylpentanoate
CID 158350510
6-[[(1R,2S)-2-amino-1-cyclopropylpropyl]amino]-5-fluoro-2-[[3-[2-methoxyethyl(methyl)amino]-1-methylindol-5-yl]amino]pyridine-3-carboxamide
CID 134187913
6-[(3-amino-1-cyclopropylbutan-2-yl)amino]-2-[(1,3-dimethylindazol-6-yl)amino]-5-fluoropyridine-3-carboxamide
CID 135305674
6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(7-methoxyquinolin-3-yl)amino]pyridine-3-carboxamide
CID 135305703
6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(5-phenyl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 135305661

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-4-[[5-carbamoyl-3-fluoro-6-[(1-methylindazol-5-yl)amino]-2-pyridinyl]amino]-3-ethylpentanoate?
The IUPAC name of tert-butyl (3R,4R)-4-[[5-carbamoyl-3-fluoro-6-[(1-methylindazol-5-yl)amino]-2-pyridinyl]amino]-3-ethylpentanoate (CID 147863066) is tert-butyl (3R,4R)-4-[[5-carbamoyl-3-fluoro-6-[(1-methylindazol-5-yl)amino]-2-pyridinyl]amino]-3-ethylpentanoate.
What is the SMILES notation for tert-butyl (3R,4R)-4-[[5-carbamoyl-3-fluoro-6-[(1-methylindazol-5-yl)amino]-2-pyridinyl]amino]-3-ethylpentanoate?
The canonical SMILES for tert-butyl (3R,4R)-4-[[5-carbamoyl-3-fluoro-6-[(1-methylindazol-5-yl)amino]-2-pyridinyl]amino]-3-ethylpentanoate is CC[C@H](CC(=O)OC(C)(C)C)[C@@H](C)Nc1nc(Nc2ccc3c(cnn3C)c2)c(C(N)=O)cc1F.
What is the InChIKey of tert-butyl (3R,4R)-4-[[5-carbamoyl-3-fluoro-6-[(1-methylindazol-5-yl)amino]-2-pyridinyl]amino]-3-ethylpentanoate?
The InChIKey is HXBYLJDKOVCQRQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C25H33FN6O3/c1-7-15(11-21(33)35-25(3,4)5)14(2)29-24-19(26)12-18(22(27)34)23(31-24)30-17-8-9-20-16(10-17)13-28-32(20)6/h8-10,12-15H,7,11H2,1-6H3,(H2,27,34)(H2,29,30,31)/t14-,15-/m1/s1.
What are the key properties of tert-butyl (3R,4R)-4-[[5-carbamoyl-3-fluoro-6-[(1-methylindazol-5-yl)amino]-2-pyridinyl]amino]-3-ethylpentanoate?
tert-butyl (3R,4R)-4-[[5-carbamoyl-3-fluoro-6-[(1-methylindazol-5-yl)amino]-2-pyridinyl]amino]-3-ethylpentanoate has a molecular weight of 484.58 g/mol, XLogP of 4.51, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-4-[[5-carbamoyl-3-fluoro-6-[(1-methylindazol-5-yl)amino]-2-pyridinyl]amino]-3-ethylpentanoate is sourced from PubChem (CID 147863066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).