[2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate

C24H22ClN7O3 — CID 126597714

About [2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate

[2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate (PubChem CID 126597714) has the molecular formula C24H22ClN7O3 and a molecular weight of 491.94 g/mol. Its IUPAC name is [2-[6-chloro-1-(pyridin-3-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-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate
• PubChem CID: 126597714
• Molecular Formula: C24H22ClN7O3
• Molecular Weight: 491.94 g/mol
• Exact Mass: 491.15
• IUPAC Name: [2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate
• SMILES: COC[C@H](C)NC(=O)Oc1c[nH]c2ncc(-c3nn(Cc4cccnc4)c4cc(Cl)ccc34)nc12
• InChI: InChI=1S/C24H22ClN7O3/c1-14(13-34-2)29-24(33)35-20-11-28-23-22(20)30-18(10-27-23)21-17-6-5-16(25)8-19(17)32(31-21)12-15-4-3-7-26-9-15/h3-11,14H,12-13H2,1-2H3,(H,27,28)(H,29,33)/t14-/m0/s1
• InChIKey: OYNUENCHMOVLBV-AWEZNQCLSA-N
• XLogP: 4.19
• TPSA: 119.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.94
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[6-chloro-1-(pyridin-3-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-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate (CID 126597714) is [2-[6-chloro-1-(pyridin-3-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-chloro-1-(pyridin-3-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-chloro-1-(pyridin-3-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(Cc4cccnc4)c4cc(Cl)ccc34)nc12.

What is the InChIKey of [2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate?

The InChIKey is OYNUENCHMOVLBV-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H22ClN7O3/c1-14(13-34-2)29-24(33)35-20-11-28-23-22(20)30-18(10-27-23)21-17-6-5-16(25)8-19(17)32(31-21)12-15-4-3-7-26-9-15/h3-11,14H,12-13H2,1-2H3,(H,27,28)(H,29,33)/t14-/m0/s1.

What are the key properties of [2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate?

[2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate has a molecular weight of 491.94 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate is sourced from PubChem (CID 126597714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).