[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

C24H22FN7O3 — CID 126597541

IUPAC[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
SMILESCOC[C@H](C)NC(=O)Oc1c[nH]c2ncc(-c3nn(Cc4ccccn4)c4cc(F)ccc34)nc12
InChIInChI=1S/C24H22FN7O3/c1-14(13-34-2)29-24(33)35-20-11-28-23-22(20)30-18(10-27-23)21-17-7-6-15(25)9-19(17)32(31-21)12-16-5-3-4-8-26-16/h3-11,14H,12-13H2,1-2H3,(H,27,28)(H,29,33)/t14-/m0/s1
InChIKeySVYMDKMMYCXCCC-AWEZNQCLSA-N
MW475.48 g/mol
LogP3.68
Rot. Bonds7

About [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

[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 (PubChem CID 126597541) has the molecular formula C24H22FN7O3 and a molecular weight of 475.48 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID126597541
Molecular FormulaC24H22FN7O3
Molecular Weight475.48 g/mol
Exact Mass475.18
IUPAC Name[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
SMILESCOC[C@H](C)NC(=O)Oc1c[nH]c2ncc(-c3nn(Cc4ccccn4)c4cc(F)ccc34)nc12
InChIInChI=1S/C24H22FN7O3/c1-14(13-34-2)29-24(33)35-20-11-28-23-22(20)30-18(10-27-23)21-17-7-6-15(25)9-19(17)32(31-21)12-16-5-3-4-8-26-16/h3-11,14H,12-13H2,1-2H3,(H,27,28)(H,29,33)/t14-/m0/s1
InChIKeySVYMDKMMYCXCCC-AWEZNQCLSA-N
XLogP3.68
TPSA119.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COC[C@H](C)NC(=O)Oc1c[nH]c2ncc(-c3nn(Cc4ccccn4)c4cc(F)ccc34)nc12.
What is the InChIKey of [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?
The InChIKey is SVYMDKMMYCXCCC-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H22FN7O3/c1-14(13-34-2)29-24(33)35-20-11-28-23-22(20)30-18(10-27-23)21-17-7-6-15(25)9-19(17)32(31-21)12-16-5-3-4-8-26-16/h3-11,14H,12-13H2,1-2H3,(H,27,28)(H,29,33)/t14-/m0/s1.
What are the key properties of [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?
[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 has a molecular weight of 475.48 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 126597541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).