N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]ethyl]-5-(morpholine-4-carbonyl)pyrazine-2-carboxamide

C22H20ClN7O3 — CID 70657229

IUPACN-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]ethyl]-5-(morpholine-4-carbonyl)pyrazine-2-carboxamide
SMILESN#Cc1ccc(-c2ccn(CCNC(=O)c3cnc(C(=O)N4CCOCC4)cn3)n2)cc1Cl
InChIInChI=1S/C22H20ClN7O3/c23-17-11-15(1-2-16(17)12-24)18-3-5-30(28-18)6-4-25-21(31)19-13-27-20(14-26-19)22(32)29-7-9-33-10-8-29/h1-3,5,11,13-14H,4,6-10H2,(H,25,31)
InChIKeyFGQLYUVKFXDOSC-UHFFFAOYSA-N
MW465.90 g/mol
LogP1.77
Rot. Bonds6

About N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]ethyl]-5-(morpholine-4-carbonyl)pyrazine-2-carboxamide

N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]ethyl]-5-(morpholine-4-carbonyl)pyrazine-2-carboxamide (PubChem CID 70657229) has the molecular formula C22H20ClN7O3 and a molecular weight of 465.90 g/mol. Its IUPAC name is N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]ethyl]-5-(morpholine-4-carbonyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]ethyl]-5-(morpholine-4-carbonyl)pyrazine-2-carboxamide
PubChem CID70657229
Molecular FormulaC22H20ClN7O3
Molecular Weight465.90 g/mol
Exact Mass465.13
IUPAC NameN-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]ethyl]-5-(morpholine-4-carbonyl)pyrazine-2-carboxamide
SMILESN#Cc1ccc(-c2ccn(CCNC(=O)c3cnc(C(=O)N4CCOCC4)cn3)n2)cc1Cl
InChIInChI=1S/C22H20ClN7O3/c23-17-11-15(1-2-16(17)12-24)18-3-5-30(28-18)6-4-25-21(31)19-13-27-20(14-26-19)22(32)29-7-9-33-10-8-29/h1-3,5,11,13-14H,4,6-10H2,(H,25,31)
InChIKeyFGQLYUVKFXDOSC-UHFFFAOYSA-N
XLogP1.77
TPSA126.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.90
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]ethyl]-5-(morpholine-4-carbonyl)pyrazine-2-carboxamide?
The IUPAC name of N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]ethyl]-5-(morpholine-4-carbonyl)pyrazine-2-carboxamide (CID 70657229) is N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]ethyl]-5-(morpholine-4-carbonyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]ethyl]-5-(morpholine-4-carbonyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]ethyl]-5-(morpholine-4-carbonyl)pyrazine-2-carboxamide is N#Cc1ccc(-c2ccn(CCNC(=O)c3cnc(C(=O)N4CCOCC4)cn3)n2)cc1Cl.
What is the InChIKey of N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]ethyl]-5-(morpholine-4-carbonyl)pyrazine-2-carboxamide?
The InChIKey is FGQLYUVKFXDOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN7O3/c23-17-11-15(1-2-16(17)12-24)18-3-5-30(28-18)6-4-25-21(31)19-13-27-20(14-26-19)22(32)29-7-9-33-10-8-29/h1-3,5,11,13-14H,4,6-10H2,(H,25,31).
What are the key properties of N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]ethyl]-5-(morpholine-4-carbonyl)pyrazine-2-carboxamide?
N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]ethyl]-5-(morpholine-4-carbonyl)pyrazine-2-carboxamide has a molecular weight of 465.90 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]ethyl]-5-(morpholine-4-carbonyl)pyrazine-2-carboxamide is sourced from PubChem (CID 70657229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).