tert-butyl 4-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-aminopyridine-3-carbonyl]piperazine-1-carboxylate

C24H29N7O4 — CID 59252089

IUPACtert-butyl 4-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-aminopyridine-3-carbonyl]piperazine-1-carboxylate
SMILESCC(=O)Nc1cn2cc(-c3cnc(N)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2n1
InChIInChI=1S/C24H29N7O4/c1-15(32)27-19-14-31-13-16(5-6-20(31)28-19)17-11-18(21(25)26-12-17)22(33)29-7-9-30(10-8-29)23(34)35-24(2,3)4/h5-6,11-14H,7-10H2,1-4H3,(H2,25,26)(H,27,32)
InChIKeyUTETUUGZUVLDEN-UHFFFAOYSA-N
MW479.54 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl 4-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-aminopyridine-3-carbonyl]piperazine-1-carboxylate

tert-butyl 4-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-aminopyridine-3-carbonyl]piperazine-1-carboxylate (PubChem CID 59252089) has the molecular formula C24H29N7O4 and a molecular weight of 479.54 g/mol. Its IUPAC name is tert-butyl 4-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-aminopyridine-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-aminopyridine-3-carbonyl]piperazine-1-carboxylate
PubChem CID59252089
Molecular FormulaC24H29N7O4
Molecular Weight479.54 g/mol
Exact Mass479.23
IUPAC Nametert-butyl 4-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-aminopyridine-3-carbonyl]piperazine-1-carboxylate
SMILESCC(=O)Nc1cn2cc(-c3cnc(N)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2n1
InChIInChI=1S/C24H29N7O4/c1-15(32)27-19-14-31-13-16(5-6-20(31)28-19)17-11-18(21(25)26-12-17)22(33)29-7-9-30(10-8-29)23(34)35-24(2,3)4/h5-6,11-14H,7-10H2,1-4H3,(H2,25,26)(H,27,32)
InChIKeyUTETUUGZUVLDEN-UHFFFAOYSA-N
XLogP2.63
TPSA135.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-aminopyridine-3-carbonyl]piperazine-1-carboxylate with MolForge

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Related Compounds

N-[6-[6-amino-5-[4-(4-fluorophenoxy)piperidin-1-yl]sulfinyl-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 143527806
tert-butyl 2-[[6-[5-amino-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]azetidine-1-carboxylate
CID 59251901
N-[6-[5-amino-6-(1-methylpiperidin-4-yl)oxypyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 59251904
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-(carbamoylamino)pentanamide;ethane
CID 143527821
tert-butyl 4-[4-[6-amino-5-[(4-aminophenyl)carbamoyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 164524533
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-(methylamino)hexanamide
CID 71171122
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 68528559
tert-butyl 4-[4-[6-amino-5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 164524564
tert-butyl 4-(4-amino-5-methylpyridine-2-carbonyl)piperazine-1-carboxylate
CID 170992060
tert-butyl 4-[6-(2-amino-5-phenylpyridine-3-carbonyl)-2-pyridinyl]-1,4-diazepane-1-carboxylate;molecular hydrogen
CID 160695960
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3-fluorobenzamide
CID 59251812
tert-butyl 4-[4-[6-amino-5-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 164524549

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-aminopyridine-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-aminopyridine-3-carbonyl]piperazine-1-carboxylate (CID 59252089) is tert-butyl 4-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-aminopyridine-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-aminopyridine-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-aminopyridine-3-carbonyl]piperazine-1-carboxylate is CC(=O)Nc1cn2cc(-c3cnc(N)c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2n1.
What is the InChIKey of tert-butyl 4-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-aminopyridine-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is UTETUUGZUVLDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O4/c1-15(32)27-19-14-31-13-16(5-6-20(31)28-19)17-11-18(21(25)26-12-17)22(33)29-7-9-30(10-8-29)23(34)35-24(2,3)4/h5-6,11-14H,7-10H2,1-4H3,(H2,25,26)(H,27,32).
What are the key properties of tert-butyl 4-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-aminopyridine-3-carbonyl]piperazine-1-carboxylate?
tert-butyl 4-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-aminopyridine-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 479.54 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-aminopyridine-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 59252089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).