1-[6-[1-(2-hydroxypropyl)indazol-5-yl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea

C21H21N7O2 — CID 166071597

IUPAC1-[6-[1-(2-hydroxypropyl)indazol-5-yl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2cncc(-c3ccc4c(cnn4CC(C)O)c3)n2)cn1
InChIInChI=1S/C21H21N7O2/c1-13-3-5-17(9-23-13)25-21(30)27-20-11-22-10-18(26-20)15-4-6-19-16(7-15)8-24-28(19)12-14(2)29/h3-11,14,29H,12H2,1-2H3,(H2,25,26,27,30)
InChIKeyAHMDFVXGAQKMRY-UHFFFAOYSA-N
MW403.45 g/mol
LogP3.22
Rot. Bonds5

About 1-[6-[1-(2-hydroxypropyl)indazol-5-yl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea

1-[6-[1-(2-hydroxypropyl)indazol-5-yl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea (PubChem CID 166071597) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 1-[6-[1-(2-hydroxypropyl)indazol-5-yl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[6-[1-(2-hydroxypropyl)indazol-5-yl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
PubChem CID166071597
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name1-[6-[1-(2-hydroxypropyl)indazol-5-yl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2cncc(-c3ccc4c(cnn4CC(C)O)c3)n2)cn1
InChIInChI=1S/C21H21N7O2/c1-13-3-5-17(9-23-13)25-21(30)27-20-11-22-10-18(26-20)15-4-6-19-16(7-15)8-24-28(19)12-14(2)29/h3-11,14,29H,12H2,1-2H3,(H2,25,26,27,30)
InChIKeyAHMDFVXGAQKMRY-UHFFFAOYSA-N
XLogP3.22
TPSA117.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(2-hydroxypropyl)indazol-5-yl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea?
The IUPAC name of 1-[6-[1-(2-hydroxypropyl)indazol-5-yl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea (CID 166071597) is 1-[6-[1-(2-hydroxypropyl)indazol-5-yl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[6-[1-(2-hydroxypropyl)indazol-5-yl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-[6-[1-(2-hydroxypropyl)indazol-5-yl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea is Cc1ccc(NC(=O)Nc2cncc(-c3ccc4c(cnn4CC(C)O)c3)n2)cn1.
What is the InChIKey of 1-[6-[1-(2-hydroxypropyl)indazol-5-yl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea?
The InChIKey is AHMDFVXGAQKMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-13-3-5-17(9-23-13)25-21(30)27-20-11-22-10-18(26-20)15-4-6-19-16(7-15)8-24-28(19)12-14(2)29/h3-11,14,29H,12H2,1-2H3,(H2,25,26,27,30).
What are the key properties of 1-[6-[1-(2-hydroxypropyl)indazol-5-yl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea?
1-[6-[1-(2-hydroxypropyl)indazol-5-yl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea has a molecular weight of 403.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(2-hydroxypropyl)indazol-5-yl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea is sourced from PubChem (CID 166071597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).