1H-pyrrolo[2,3-b]pyridin-4-yl N-[8-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]carbamate

C25H17N7O2 — CID 71147570

IUPAC1H-pyrrolo[2,3-b]pyridin-4-yl N-[8-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]carbamate
SMILESO=C(NC1c2cccc(-c3nc4ccncc4[nH]3)c2-n2cccc21)Oc1ccnc2[nH]ccc12
InChIInChI=1S/C25H17N7O2/c33-25(34-20-8-11-28-23-14(20)6-10-27-23)31-21-15-3-1-4-16(22(15)32-12-2-5-19(21)32)24-29-17-7-9-26-13-18(17)30-24/h1-13,21H,(H,27,28)(H,29,30)(H,31,33)
InChIKeyXMMBYGRSHMTXGV-UHFFFAOYSA-N
MW447.46 g/mol
LogP4.48
Rot. Bonds3

About 1H-pyrrolo[2,3-b]pyridin-4-yl N-[8-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]carbamate

1H-pyrrolo[2,3-b]pyridin-4-yl N-[8-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]carbamate (PubChem CID 71147570) has the molecular formula C25H17N7O2 and a molecular weight of 447.46 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-b]pyridin-4-yl N-[8-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]carbamate.

Molecular Properties

Compound Name1H-pyrrolo[2,3-b]pyridin-4-yl N-[8-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]carbamate
PubChem CID71147570
Molecular FormulaC25H17N7O2
Molecular Weight447.46 g/mol
Exact Mass447.14
IUPAC Name1H-pyrrolo[2,3-b]pyridin-4-yl N-[8-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]carbamate
SMILESO=C(NC1c2cccc(-c3nc4ccncc4[nH]3)c2-n2cccc21)Oc1ccnc2[nH]ccc12
InChIInChI=1S/C25H17N7O2/c33-25(34-20-8-11-28-23-14(20)6-10-27-23)31-21-15-3-1-4-16(22(15)32-12-2-5-19(21)32)24-29-17-7-9-26-13-18(17)30-24/h1-13,21H,(H,27,28)(H,29,30)(H,31,33)
InChIKeyXMMBYGRSHMTXGV-UHFFFAOYSA-N
XLogP4.48
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1H-pyrrolo[2,3-b]pyridin-4-yl N-[8-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,3-b]pyridin-4-yl N-[8-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]carbamate?
The IUPAC name of 1H-pyrrolo[2,3-b]pyridin-4-yl N-[8-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]carbamate (CID 71147570) is 1H-pyrrolo[2,3-b]pyridin-4-yl N-[8-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]carbamate.
What is the SMILES notation for 1H-pyrrolo[2,3-b]pyridin-4-yl N-[8-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]carbamate?
The canonical SMILES for 1H-pyrrolo[2,3-b]pyridin-4-yl N-[8-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]carbamate is O=C(NC1c2cccc(-c3nc4ccncc4[nH]3)c2-n2cccc21)Oc1ccnc2[nH]ccc12.
What is the InChIKey of 1H-pyrrolo[2,3-b]pyridin-4-yl N-[8-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]carbamate?
The InChIKey is XMMBYGRSHMTXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N7O2/c33-25(34-20-8-11-28-23-14(20)6-10-27-23)31-21-15-3-1-4-16(22(15)32-12-2-5-19(21)32)24-29-17-7-9-26-13-18(17)30-24/h1-13,21H,(H,27,28)(H,29,30)(H,31,33).
What are the key properties of 1H-pyrrolo[2,3-b]pyridin-4-yl N-[8-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]carbamate?
1H-pyrrolo[2,3-b]pyridin-4-yl N-[8-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]carbamate has a molecular weight of 447.46 g/mol, XLogP of 4.48, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-b]pyridin-4-yl N-[8-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]carbamate is sourced from PubChem (CID 71147570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).