[2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate

C18H16F2N6O3 — CID 126597636

IUPAC[2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate
SMILESCOC[C@H](C)NC(=O)Oc1c[nH]c2ncc(-c3ncn4cc(F)cc(F)c34)nc12
InChIInChI=1S/C18H16F2N6O3/c1-9(7-28-2)24-18(27)29-13-5-22-17-15(13)25-12(4-21-17)14-16-11(20)3-10(19)6-26(16)8-23-14/h3-6,8-9H,7H2,1-2H3,(H,21,22)(H,24,27)/t9-/m0/s1
InChIKeyGQDAPDNBECOKTA-VIFPVBQESA-N
MW402.36 g/mol
LogP2.67
Rot. Bonds5

About [2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate

[2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate (PubChem CID 126597636) has the molecular formula C18H16F2N6O3 and a molecular weight of 402.36 g/mol. Its IUPAC name is [2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate.

Molecular Properties

Compound Name[2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate
PubChem CID126597636
Molecular FormulaC18H16F2N6O3
Molecular Weight402.36 g/mol
Exact Mass402.13
IUPAC Name[2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate
SMILESCOC[C@H](C)NC(=O)Oc1c[nH]c2ncc(-c3ncn4cc(F)cc(F)c34)nc12
InChIInChI=1S/C18H16F2N6O3/c1-9(7-28-2)24-18(27)29-13-5-22-17-15(13)25-12(4-21-17)14-16-11(20)3-10(19)6-26(16)8-23-14/h3-6,8-9H,7H2,1-2H3,(H,21,22)(H,24,27)/t9-/m0/s1
InChIKeyGQDAPDNBECOKTA-VIFPVBQESA-N
XLogP2.67
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate?
The IUPAC name of [2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate (CID 126597636) is [2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate.
What is the SMILES notation for [2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate?
The canonical SMILES for [2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate is COC[C@H](C)NC(=O)Oc1c[nH]c2ncc(-c3ncn4cc(F)cc(F)c34)nc12.
What is the InChIKey of [2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate?
The InChIKey is GQDAPDNBECOKTA-VIFPVBQESA-N. The full InChI is InChI=1S/C18H16F2N6O3/c1-9(7-28-2)24-18(27)29-13-5-22-17-15(13)25-12(4-21-17)14-16-11(20)3-10(19)6-26(16)8-23-14/h3-6,8-9H,7H2,1-2H3,(H,21,22)(H,24,27)/t9-/m0/s1.
What are the key properties of [2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate?
[2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate has a molecular weight of 402.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate is sourced from PubChem (CID 126597636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).