N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(3,4-dimethylpiperazin-1-yl)pyrazine-2-carboxamide

C23H29N7O4 — CID 66589711

IUPACN-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(3,4-dimethylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCOc1cc(COc2cc(NC(=O)c3cnc(N4CCN(C)C(C)C4)cn3)[nH]n2)cc(OC)c1
InChIInChI=1S/C23H29N7O4/c1-15-13-30(6-5-29(15)2)21-12-24-19(11-25-21)23(31)26-20-10-22(28-27-20)34-14-16-7-17(32-3)9-18(8-16)33-4/h7-12,15H,5-6,13-14H2,1-4H3,(H2,26,27,28,31)
InChIKeyIKEAYQIGDUZGRU-UHFFFAOYSA-N
MW467.53 g/mol
LogP2.19
Rot. Bonds8

About N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(3,4-dimethylpiperazin-1-yl)pyrazine-2-carboxamide

N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(3,4-dimethylpiperazin-1-yl)pyrazine-2-carboxamide (PubChem CID 66589711) has the molecular formula C23H29N7O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(3,4-dimethylpiperazin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(3,4-dimethylpiperazin-1-yl)pyrazine-2-carboxamide
PubChem CID66589711
Molecular FormulaC23H29N7O4
Molecular Weight467.53 g/mol
Exact Mass467.23
IUPAC NameN-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(3,4-dimethylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCOc1cc(COc2cc(NC(=O)c3cnc(N4CCN(C)C(C)C4)cn3)[nH]n2)cc(OC)c1
InChIInChI=1S/C23H29N7O4/c1-15-13-30(6-5-29(15)2)21-12-24-19(11-25-21)23(31)26-20-10-22(28-27-20)34-14-16-7-17(32-3)9-18(8-16)33-4/h7-12,15H,5-6,13-14H2,1-4H3,(H2,26,27,28,31)
InChIKeyIKEAYQIGDUZGRU-UHFFFAOYSA-N
XLogP2.19
TPSA117.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(3,4-dimethylpiperazin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(3,4-dimethylpiperazin-1-yl)pyrazine-2-carboxamide (CID 66589711) is N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(3,4-dimethylpiperazin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(3,4-dimethylpiperazin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(3,4-dimethylpiperazin-1-yl)pyrazine-2-carboxamide is COc1cc(COc2cc(NC(=O)c3cnc(N4CCN(C)C(C)C4)cn3)[nH]n2)cc(OC)c1.
What is the InChIKey of N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(3,4-dimethylpiperazin-1-yl)pyrazine-2-carboxamide?
The InChIKey is IKEAYQIGDUZGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O4/c1-15-13-30(6-5-29(15)2)21-12-24-19(11-25-21)23(31)26-20-10-22(28-27-20)34-14-16-7-17(32-3)9-18(8-16)33-4/h7-12,15H,5-6,13-14H2,1-4H3,(H2,26,27,28,31).
What are the key properties of N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(3,4-dimethylpiperazin-1-yl)pyrazine-2-carboxamide?
N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(3,4-dimethylpiperazin-1-yl)pyrazine-2-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(3,4-dimethylpiperazin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 66589711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).