[5-(8-aminoimidazo[1,2-a]pyridin-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid

C22H25N7O4 — CID 174233148

IUPAC[5-(8-aminoimidazo[1,2-a]pyridin-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
SMILESCC(C)n1cc(-c2ccc(N)c3nccn23)c2c(N(C(=O)O)C(=O)OC(C)(C)C)ncnc21
InChIInChI=1S/C22H25N7O4/c1-12(2)28-10-13(15-7-6-14(23)17-24-8-9-27(15)17)16-18(28)25-11-26-19(16)29(20(30)31)21(32)33-22(3,4)5/h6-12H,23H2,1-5H3,(H,30,31)
InChIKeyHUWMRRRMSMRFJA-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.33
Rot. Bonds3

About [5-(8-aminoimidazo[1,2-a]pyridin-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid

[5-(8-aminoimidazo[1,2-a]pyridin-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid (PubChem CID 174233148) has the molecular formula C22H25N7O4 and a molecular weight of 451.49 g/mol. Its IUPAC name is [5-(8-aminoimidazo[1,2-a]pyridin-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid.

Molecular Properties

Compound Name[5-(8-aminoimidazo[1,2-a]pyridin-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
PubChem CID174233148
Molecular FormulaC22H25N7O4
Molecular Weight451.49 g/mol
Exact Mass451.20
IUPAC Name[5-(8-aminoimidazo[1,2-a]pyridin-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
SMILESCC(C)n1cc(-c2ccc(N)c3nccn23)c2c(N(C(=O)O)C(=O)OC(C)(C)C)ncnc21
InChIInChI=1S/C22H25N7O4/c1-12(2)28-10-13(15-7-6-14(23)17-24-8-9-27(15)17)16-18(28)25-11-26-19(16)29(20(30)31)21(32)33-22(3,4)5/h6-12H,23H2,1-5H3,(H,30,31)
InChIKeyHUWMRRRMSMRFJA-UHFFFAOYSA-N
XLogP4.33
TPSA140.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [5-(8-aminoimidazo[1,2-a]pyridin-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid with MolForge

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Related Compounds

tert-butyl N-[5-(8-aminoimidazo[1,2-a]pyridin-5-yl)-7-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 171090991
tert-butyl 4-[5-(8-aminoimidazo[1,2-a]pyridin-5-yl)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
CID 171091204
tert-butyl N-[5-(8-amino-3-methylimidazo[1,2-a]pyridin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 171091177
tert-butyl N-[5-(8-aminoimidazo[1,2-a]pyridin-5-yl)-7-(3-phenylmethoxycyclobutyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxycarbonylcarbamate
CID 174233200
(8-bromo-5-methylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 174230762
5-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 59021381
(3-fluoro-4-methyl-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 174161572
tert-butyl N-[5-bromo-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 171090811
(2-methylpropan-2-yl)oxycarbonyl-[7-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]carbamic acid
CID 166758767
tert-butyl N-imidazo[1,2-a]pyridin-5-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 10520632
4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 19597475
tert-butyl N-imidazo[1,2-a]pyrazin-8-yl-N-methylcarbamate
CID 141203596

Frequently Asked Questions

What is the IUPAC name of [5-(8-aminoimidazo[1,2-a]pyridin-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid?
The IUPAC name of [5-(8-aminoimidazo[1,2-a]pyridin-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid (CID 174233148) is [5-(8-aminoimidazo[1,2-a]pyridin-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid.
What is the SMILES notation for [5-(8-aminoimidazo[1,2-a]pyridin-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid?
The canonical SMILES for [5-(8-aminoimidazo[1,2-a]pyridin-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid is CC(C)n1cc(-c2ccc(N)c3nccn23)c2c(N(C(=O)O)C(=O)OC(C)(C)C)ncnc21.
What is the InChIKey of [5-(8-aminoimidazo[1,2-a]pyridin-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid?
The InChIKey is HUWMRRRMSMRFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O4/c1-12(2)28-10-13(15-7-6-14(23)17-24-8-9-27(15)17)16-18(28)25-11-26-19(16)29(20(30)31)21(32)33-22(3,4)5/h6-12H,23H2,1-5H3,(H,30,31).
What are the key properties of [5-(8-aminoimidazo[1,2-a]pyridin-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid?
[5-(8-aminoimidazo[1,2-a]pyridin-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid has a molecular weight of 451.49 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(8-aminoimidazo[1,2-a]pyridin-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid is sourced from PubChem (CID 174233148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).