4-[4-[6-(benzylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide

C25H27N7O — CID 86293963

IUPAC4-[4-[6-(benzylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(c2cc3c(-c4cncc(NCc5ccccc5)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C25H27N7O/c1-26-25(33)32-11-8-18(9-12-32)21-13-20-19(7-10-28-24(20)31-21)22-15-27-16-23(30-22)29-14-17-5-3-2-4-6-17/h2-7,10,13,15-16,18H,8-9,11-12,14H2,1H3,(H,26,33)(H,28,31)(H,29,30)
InChIKeyFPLGVWFXJKCUKL-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.15
Rot. Bonds5

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

4-[4-[6-(benzylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 86293963) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 4-[4-[6-(benzylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[6-(benzylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide
PubChem CID86293963
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name4-[4-[6-(benzylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(c2cc3c(-c4cncc(NCc5ccccc5)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C25H27N7O/c1-26-25(33)32-11-8-18(9-12-32)21-13-20-19(7-10-28-24(20)31-21)22-15-27-16-23(30-22)29-14-17-5-3-2-4-6-17/h2-7,10,13,15-16,18H,8-9,11-12,14H2,1H3,(H,26,33)(H,28,31)(H,29,30)
InChIKeyFPLGVWFXJKCUKL-UHFFFAOYSA-N
XLogP4.15
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(benzylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-[6-(benzylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide (CID 86293963) is 4-[4-[6-(benzylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-[6-(benzylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-[6-(benzylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(c2cc3c(-c4cncc(NCc5ccccc5)n4)ccnc3[nH]2)CC1.
What is the InChIKey of 4-[4-[6-(benzylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is FPLGVWFXJKCUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-26-25(33)32-11-8-18(9-12-32)21-13-20-19(7-10-28-24(20)31-21)22-15-27-16-23(30-22)29-14-17-5-3-2-4-6-17/h2-7,10,13,15-16,18H,8-9,11-12,14H2,1H3,(H,26,33)(H,28,31)(H,29,30).
What are the key properties of 4-[4-[6-(benzylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide?
4-[4-[6-(benzylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 4.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(benzylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 86293963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).