tert-butyl N-[[2-[4-(1-acetylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamoylamino]carbamate

C24H25N7O4 — CID 67403999

IUPACtert-butyl N-[[2-[4-(1-acetylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamoylamino]carbamate
SMILESCC(=O)n1ccc(-c2ccc(-c3cn4cc(NC(=O)NNC(=O)OC(C)(C)C)ccc4n3)cc2)n1
InChIInChI=1S/C24H25N7O4/c1-15(32)31-12-11-19(29-31)16-5-7-17(8-6-16)20-14-30-13-18(9-10-21(30)26-20)25-22(33)27-28-23(34)35-24(2,3)4/h5-14H,1-4H3,(H,28,34)(H2,25,27,33)
InChIKeyRXZZMDCKLIAFMK-UHFFFAOYSA-N
MW475.51 g/mol
LogP4.09
Rot. Bonds3

About tert-butyl N-[[2-[4-(1-acetylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamoylamino]carbamate

tert-butyl N-[[2-[4-(1-acetylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamoylamino]carbamate (PubChem CID 67403999) has the molecular formula C24H25N7O4 and a molecular weight of 475.51 g/mol. Its IUPAC name is tert-butyl N-[[2-[4-(1-acetylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamoylamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[4-(1-acetylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamoylamino]carbamate
PubChem CID67403999
Molecular FormulaC24H25N7O4
Molecular Weight475.51 g/mol
Exact Mass475.20
IUPAC Nametert-butyl N-[[2-[4-(1-acetylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamoylamino]carbamate
SMILESCC(=O)n1ccc(-c2ccc(-c3cn4cc(NC(=O)NNC(=O)OC(C)(C)C)ccc4n3)cc2)n1
InChIInChI=1S/C24H25N7O4/c1-15(32)31-12-11-19(29-31)16-5-7-17(8-6-16)20-14-30-13-18(9-10-21(30)26-20)25-22(33)27-28-23(34)35-24(2,3)4/h5-14H,1-4H3,(H,28,34)(H2,25,27,33)
InChIKeyRXZZMDCKLIAFMK-UHFFFAOYSA-N
XLogP4.09
TPSA131.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 852462
N-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 986158
N-[2-(4-acetamidophenyl)imidazo[1,2-a]pyridin-6-yl]-2-aminoacetamide
CID 39176591
tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate
CID 137368600
1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122284041
4-amino-N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]butanamide
CID 39176203
tert-butyl N-[4-[2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-oxoethyl]phenyl]carbamate
CID 78893994
4-bromo-N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 42737491
N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-methoxyacetamide
CID 42737495
1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methylphenyl)urea
CID 121089798
2-(4-carboxyphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117128170
tert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate
CID 122483314

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[4-(1-acetylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamoylamino]carbamate?
The IUPAC name of tert-butyl N-[[2-[4-(1-acetylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamoylamino]carbamate (CID 67403999) is tert-butyl N-[[2-[4-(1-acetylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamoylamino]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[4-(1-acetylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamoylamino]carbamate?
The canonical SMILES for tert-butyl N-[[2-[4-(1-acetylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamoylamino]carbamate is CC(=O)n1ccc(-c2ccc(-c3cn4cc(NC(=O)NNC(=O)OC(C)(C)C)ccc4n3)cc2)n1.
What is the InChIKey of tert-butyl N-[[2-[4-(1-acetylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamoylamino]carbamate?
The InChIKey is RXZZMDCKLIAFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O4/c1-15(32)31-12-11-19(29-31)16-5-7-17(8-6-16)20-14-30-13-18(9-10-21(30)26-20)25-22(33)27-28-23(34)35-24(2,3)4/h5-14H,1-4H3,(H,28,34)(H2,25,27,33).
What are the key properties of tert-butyl N-[[2-[4-(1-acetylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamoylamino]carbamate?
tert-butyl N-[[2-[4-(1-acetylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamoylamino]carbamate has a molecular weight of 475.51 g/mol, XLogP of 4.09, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[4-(1-acetylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamoylamino]carbamate is sourced from PubChem (CID 67403999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).