pyridin-2-yl N-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]carbamate

C26H27N7O3 — CID 118377710

IUPACpyridin-2-yl N-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]carbamate
SMILESCC(C)CNc1nc(NC(=O)Oc2ccccn2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C26H27N7O3/c1-16(2)13-28-23-24-29-14-20(17-6-8-18(9-7-17)25(34)30-19-10-11-19)33(24)15-21(31-23)32-26(35)36-22-5-3-4-12-27-22/h3-9,12,14-16,19H,10-11,13H2,1-2H3,(H,28,31)(H,30,34)(H,32,35)
InChIKeyPDJLFXOZPHRTIM-UHFFFAOYSA-N
MW485.55 g/mol
LogP4.36
Rot. Bonds8

About pyridin-2-yl N-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]carbamate

pyridin-2-yl N-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]carbamate (PubChem CID 118377710) has the molecular formula C26H27N7O3 and a molecular weight of 485.55 g/mol. Its IUPAC name is pyridin-2-yl N-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]carbamate.

Molecular Properties

Compound Namepyridin-2-yl N-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]carbamate
PubChem CID118377710
Molecular FormulaC26H27N7O3
Molecular Weight485.55 g/mol
Exact Mass485.22
IUPAC Namepyridin-2-yl N-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]carbamate
SMILESCC(C)CNc1nc(NC(=O)Oc2ccccn2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C26H27N7O3/c1-16(2)13-28-23-24-29-14-20(17-6-8-18(9-7-17)25(34)30-19-10-11-19)33(24)15-21(31-23)32-26(35)36-22-5-3-4-12-27-22/h3-9,12,14-16,19H,10-11,13H2,1-2H3,(H,28,31)(H,30,34)(H,32,35)
InChIKeyPDJLFXOZPHRTIM-UHFFFAOYSA-N
XLogP4.36
TPSA122.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl N-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]carbamate?
The IUPAC name of pyridin-2-yl N-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]carbamate (CID 118377710) is pyridin-2-yl N-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]carbamate.
What is the SMILES notation for pyridin-2-yl N-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]carbamate?
The canonical SMILES for pyridin-2-yl N-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]carbamate is CC(C)CNc1nc(NC(=O)Oc2ccccn2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of pyridin-2-yl N-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]carbamate?
The InChIKey is PDJLFXOZPHRTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3/c1-16(2)13-28-23-24-29-14-20(17-6-8-18(9-7-17)25(34)30-19-10-11-19)33(24)15-21(31-23)32-26(35)36-22-5-3-4-12-27-22/h3-9,12,14-16,19H,10-11,13H2,1-2H3,(H,28,31)(H,30,34)(H,32,35).
What are the key properties of pyridin-2-yl N-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]carbamate?
pyridin-2-yl N-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]carbamate has a molecular weight of 485.55 g/mol, XLogP of 4.36, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl N-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]carbamate is sourced from PubChem (CID 118377710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).