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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Related Compounds

2,2-dimethyl-3-[2-methyl-4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenoxy]propanamide
CID 146376054
1-[6-[3-methyl-4-[methyl-[(1-methyl-2-oxo-3-pyridinyl)methyl]amino]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
CID 166071605
1-[6-[1-(2-cyano-2-methylpropyl)-2,3-dihydroindol-5-yl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
CID 166071604
1-(6-methyl-3-pyridinyl)-3-[6-[3-methyl-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazin-2-yl]urea
CID 146346911
1-[6-[3-methoxy-4-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
CID 146376062
1-[6-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
CID 146347004
(2R)-2-methyl-2-[[2-methyl-4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenoxy]methyl]pyrrolidine-1-carboxylic acid
CID 146346951
1-[6-[4-(1-acetylpiperidin-2-yl)phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
CID 146346895
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
tert-butyl 2-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate
CID 146346866
1-[6-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea;N-(2-methylprop-1-enyl)methanimine;1-methylpyrrolidin-2-one
CID 153401155
(2R)-1-(5-aminoindazol-1-yl)propan-2-ol
CID 125481302

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).