N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C26H36N6O2 — CID 20961554

IUPACN-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCCN1CCN(CCNC(=O)CCc2c(C)c3c(C)nn(-c4ccccc4)c3n(C)c2=O)CC1
InChIInChI=1S/C26H36N6O2/c1-5-30-15-17-31(18-16-30)14-13-27-23(33)12-11-22-19(2)24-20(3)28-32(21-9-7-6-8-10-21)25(24)29(4)26(22)34/h6-10H,5,11-18H2,1-4H3,(H,27,33)
InChIKeyYFMWJISBTHNTNL-UHFFFAOYSA-N
MW464.61 g/mol
LogP2.03
Rot. Bonds8

About N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide

N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 20961554) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID20961554
Molecular FormulaC26H36N6O2
Molecular Weight464.61 g/mol
Exact Mass464.29
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCCN1CCN(CCNC(=O)CCc2c(C)c3c(C)nn(-c4ccccc4)c3n(C)c2=O)CC1
InChIInChI=1S/C26H36N6O2/c1-5-30-15-17-31(18-16-30)14-13-27-23(33)12-11-22-19(2)24-20(3)28-32(21-9-7-6-8-10-21)25(24)29(4)26(22)34/h6-10H,5,11-18H2,1-4H3,(H,27,33)
InChIKeyYFMWJISBTHNTNL-UHFFFAOYSA-N
XLogP2.03
TPSA75.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 20961554) is N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide is CCN1CCN(CCNC(=O)CCc2c(C)c3c(C)nn(-c4ccccc4)c3n(C)c2=O)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is YFMWJISBTHNTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2/c1-5-30-15-17-31(18-16-30)14-13-27-23(33)12-11-22-19(2)24-20(3)28-32(21-9-7-6-8-10-21)25(24)29(4)26(22)34/h6-10H,5,11-18H2,1-4H3,(H,27,33).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 464.61 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 20961554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).