[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate

C18H22N6O2 — CID 126597607

IUPAC[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1c[nH]c2ncc(-c3ncn4c3CCCC4)nc12
InChIInChI=1S/C18H22N6O2/c1-18(2,3)23-17(25)26-13-9-20-16-15(13)22-11(8-19-16)14-12-6-4-5-7-24(12)10-21-14/h8-10H,4-7H2,1-3H3,(H,19,20)(H,23,25)
InChIKeyMHVWVCOCCPLQKE-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.04
Rot. Bonds2

About [2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate

[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate (PubChem CID 126597607) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is [2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
PubChem CID126597607
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1c[nH]c2ncc(-c3ncn4c3CCCC4)nc12
InChIInChI=1S/C18H22N6O2/c1-18(2,3)23-17(25)26-13-9-20-16-15(13)22-11(8-19-16)14-12-6-4-5-7-24(12)10-21-14/h8-10H,4-7H2,1-3H3,(H,19,20)(H,23,25)
InChIKeyMHVWVCOCCPLQKE-UHFFFAOYSA-N
XLogP3.04
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(7-Methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1-methylimidazo[4,5-b]pyridin-2-one
CID 90644316
3-[2-(7-Methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-1-methylimidazo[4,5-b]pyrazin-2-one
CID 90644317
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-methylpyrrolidin-3-yl)carbamate
CID 126597509
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(aminomethyl)cyclopropyl]carbamate
CID 126597511
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-amino-1-methylcyclobutyl)carbamate
CID 126597512
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-amino-2-methylpropan-2-yl)carbamate
CID 126597522
[2-(6-fluoroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
CID 126597530
[2-[6-fluoro-1-(pyridin-2-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate
CID 126597541
[2-[1-(azetidin-3-ylmethyl)-6-fluoroindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
CID 126597543
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(5-amino-2-methylpentan-2-yl)carbamate
CID 126597545
[2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
CID 126597547
[2-(5-fluoroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
CID 126597550

Frequently Asked Questions

What is the IUPAC name of [2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate?
The IUPAC name of [2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate (CID 126597607) is [2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate.
What is the SMILES notation for [2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate?
The canonical SMILES for [2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1c[nH]c2ncc(-c3ncn4c3CCCC4)nc12.
What is the InChIKey of [2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate?
The InChIKey is MHVWVCOCCPLQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-18(2,3)23-17(25)26-13-9-20-16-15(13)22-11(8-19-16)14-12-6-4-5-7-24(12)10-21-14/h8-10H,4-7H2,1-3H3,(H,19,20)(H,23,25).
What are the key properties of [2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate?
[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate has a molecular weight of 354.41 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate is sourced from PubChem (CID 126597607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).