N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl]-N,3,3-trimethylbutanamide

C24H34N8O — CID 75630657

IUPACN-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl]-N,3,3-trimethylbutanamide
SMILESCC1CC(N(C)C(=O)CC(C)(C)C)CN(c2cc(-c3ccc4c(N)n[nH]c4c3)nc(N)n2)C1
InChIInChI=1S/C24H34N8O/c1-14-8-16(31(5)21(33)11-24(2,3)4)13-32(12-14)20-10-18(27-23(26)28-20)15-6-7-17-19(9-15)29-30-22(17)25/h6-7,9-10,14,16H,8,11-13H2,1-5H3,(H3,25,29,30)(H2,26,27,28)
InChIKeyPCTRICLZSMFSET-UHFFFAOYSA-N
MW450.59 g/mol
LogP3.29
Rot. Bonds4

About N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl]-N,3,3-trimethylbutanamide

N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl]-N,3,3-trimethylbutanamide (PubChem CID 75630657) has the molecular formula C24H34N8O and a molecular weight of 450.59 g/mol. Its IUPAC name is N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl]-N,3,3-trimethylbutanamide
PubChem CID75630657
Molecular FormulaC24H34N8O
Molecular Weight450.59 g/mol
Exact Mass450.29
IUPAC NameN-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl]-N,3,3-trimethylbutanamide
SMILESCC1CC(N(C)C(=O)CC(C)(C)C)CN(c2cc(-c3ccc4c(N)n[nH]c4c3)nc(N)n2)C1
InChIInChI=1S/C24H34N8O/c1-14-8-16(31(5)21(33)11-24(2,3)4)13-32(12-14)20-10-18(27-23(26)28-20)15-6-7-17-19(9-15)29-30-22(17)25/h6-7,9-10,14,16H,8,11-13H2,1-5H3,(H3,25,29,30)(H2,26,27,28)
InChIKeyPCTRICLZSMFSET-UHFFFAOYSA-N
XLogP3.29
TPSA130.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl-tert-butylcarbamic acid
CID 66991616
[1-[(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl]-2,2-dimethylpropyl]carbamic acid
CID 66991615
[(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-cyclopentylcarbamic acid
CID 66991408
[(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-propan-2-ylcarbamic acid
CID 66990713
[(3R,5R)-1-[2-amino-6-(3-amino-4-fluoro-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl-tert-butylcarbamic acid
CID 66990765
[(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-benzylcarbamic acid
CID 66990879
[(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]carbamic acid
CID 68519358
[(3S,6R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-6-methylpiperidin-3-yl]-benzylcarbamic acid
CID 66991189
tert-butyl N-[1-(2-amino-6-chloropyrimidin-4-yl)-5-methylpiperidin-3-yl]-N-methylcarbamate
CID 75630745
N-[[4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide
CID 76806884
(3S,6R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 58504603
(3S,6R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-(cyclohexylmethyl)-6-methylpiperidine-3-carboxamide
CID 46215129

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl]-N,3,3-trimethylbutanamide?
The IUPAC name of N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl]-N,3,3-trimethylbutanamide (CID 75630657) is N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl]-N,3,3-trimethylbutanamide?
The canonical SMILES for N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl]-N,3,3-trimethylbutanamide is CC1CC(N(C)C(=O)CC(C)(C)C)CN(c2cc(-c3ccc4c(N)n[nH]c4c3)nc(N)n2)C1.
What is the InChIKey of N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl]-N,3,3-trimethylbutanamide?
The InChIKey is PCTRICLZSMFSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N8O/c1-14-8-16(31(5)21(33)11-24(2,3)4)13-32(12-14)20-10-18(27-23(26)28-20)15-6-7-17-19(9-15)29-30-22(17)25/h6-7,9-10,14,16H,8,11-13H2,1-5H3,(H3,25,29,30)(H2,26,27,28).
What are the key properties of N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl]-N,3,3-trimethylbutanamide?
N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl]-N,3,3-trimethylbutanamide has a molecular weight of 450.59 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 75630657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).