N-methyl-4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxamide

C24H26N8O — CID 86293579

IUPACN-methyl-4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(c2cc3c(-c4cncc(NCc5cccnc5)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C24H26N8O/c1-25-24(33)32-9-5-17(6-10-32)20-11-19-18(4-8-28-23(19)31-20)21-14-27-15-22(30-21)29-13-16-3-2-7-26-12-16/h2-4,7-8,11-12,14-15,17H,5-6,9-10,13H2,1H3,(H,25,33)(H,28,31)(H,29,30)
InChIKeyPTUMEFRLYFQFSS-UHFFFAOYSA-N
MW442.53 g/mol
LogP3.55
Rot. Bonds5

About N-methyl-4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxamide

N-methyl-4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxamide (PubChem CID 86293579) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is N-methyl-4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxamide
PubChem CID86293579
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC NameN-methyl-4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(c2cc3c(-c4cncc(NCc5cccnc5)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C24H26N8O/c1-25-24(33)32-9-5-17(6-10-32)20-11-19-18(4-8-28-23(19)31-20)21-14-27-15-22(30-21)29-13-16-3-2-7-26-12-16/h2-4,7-8,11-12,14-15,17H,5-6,9-10,13H2,1H3,(H,25,33)(H,28,31)(H,29,30)
InChIKeyPTUMEFRLYFQFSS-UHFFFAOYSA-N
XLogP3.55
TPSA111.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxamide (CID 86293579) is N-methyl-4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxamide is CNC(=O)N1CCC(c2cc3c(-c4cncc(NCc5cccnc5)n4)ccnc3[nH]2)CC1.
What is the InChIKey of N-methyl-4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxamide?
The InChIKey is PTUMEFRLYFQFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O/c1-25-24(33)32-9-5-17(6-10-32)20-11-19-18(4-8-28-23(19)31-20)21-14-27-15-22(30-21)29-13-16-3-2-7-26-12-16/h2-4,7-8,11-12,14-15,17H,5-6,9-10,13H2,1H3,(H,25,33)(H,28,31)(H,29,30).
What are the key properties of N-methyl-4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxamide?
N-methyl-4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxamide has a molecular weight of 442.53 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 86293579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).