tert-butyl N-[3-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]propyl]carbamate

C29H33N7O3 — CID 57407263

IUPACtert-butyl N-[3-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNc1nc(-c2ccncc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C29H33N7O3/c1-29(2,3)39-28(38)32-14-4-13-31-25-26-33-17-24(36(26)18-23(35-25)19-11-15-30-16-12-19)20-5-7-21(8-6-20)27(37)34-22-9-10-22/h5-8,11-12,15-18,22H,4,9-10,13-14H2,1-3H3,(H,31,35)(H,32,38)(H,34,37)
InChIKeyZORPBBYSVUXAPM-UHFFFAOYSA-N
MW527.63 g/mol
LogP4.68
Rot. Bonds9

About tert-butyl N-[3-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]propyl]carbamate

tert-butyl N-[3-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]propyl]carbamate (PubChem CID 57407263) has the molecular formula C29H33N7O3 and a molecular weight of 527.63 g/mol. Its IUPAC name is tert-butyl N-[3-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]propyl]carbamate
PubChem CID57407263
Molecular FormulaC29H33N7O3
Molecular Weight527.63 g/mol
Exact Mass527.26
IUPAC Nametert-butyl N-[3-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNc1nc(-c2ccncc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C29H33N7O3/c1-29(2,3)39-28(38)32-14-4-13-31-25-26-33-17-24(36(26)18-23(35-25)19-11-15-30-16-12-19)20-5-7-21(8-6-20)27(37)34-22-9-10-22/h5-8,11-12,15-18,22H,4,9-10,13-14H2,1-3H3,(H,31,35)(H,32,38)(H,34,37)
InChIKeyZORPBBYSVUXAPM-UHFFFAOYSA-N
XLogP4.68
TPSA122.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.63
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]propyl]carbamate (CID 57407263) is tert-butyl N-[3-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]propyl]carbamate is CC(C)(C)OC(=O)NCCCNc1nc(-c2ccncc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of tert-butyl N-[3-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]propyl]carbamate?
The InChIKey is ZORPBBYSVUXAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O3/c1-29(2,3)39-28(38)32-14-4-13-31-25-26-33-17-24(36(26)18-23(35-25)19-11-15-30-16-12-19)20-5-7-21(8-6-20)27(37)34-22-9-10-22/h5-8,11-12,15-18,22H,4,9-10,13-14H2,1-3H3,(H,31,35)(H,32,38)(H,34,37).
What are the key properties of tert-butyl N-[3-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]propyl]carbamate?
tert-butyl N-[3-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]propyl]carbamate has a molecular weight of 527.63 g/mol, XLogP of 4.68, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]propyl]carbamate is sourced from PubChem (CID 57407263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).