1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea

C15H19N5O2 — CID 97327551

IUPAC1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
SMILESCOc1ncc(C)cc1NC(=O)N[C@@H]1CCc2[nH]ncc2C1
InChIInChI=1S/C15H19N5O2/c1-9-5-13(14(22-2)16-7-9)19-15(21)18-11-3-4-12-10(6-11)8-17-20-12/h5,7-8,11H,3-4,6H2,1-2H3,(H,17,20)(H2,18,19,21)/t11-/m1/s1
InChIKeyDDDXRFWVWCCNMY-LLVKDONJSA-N
MW301.35 g/mol
LogP1.80
Rot. Bonds3

About 1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea

1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea (PubChem CID 97327551) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
PubChem CID97327551
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
SMILESCOc1ncc(C)cc1NC(=O)N[C@@H]1CCc2[nH]ncc2C1
InChIInChI=1S/C15H19N5O2/c1-9-5-13(14(22-2)16-7-9)19-15(21)18-11-3-4-12-10(6-11)8-17-20-12/h5,7-8,11H,3-4,6H2,1-2H3,(H,17,20)(H2,18,19,21)/t11-/m1/s1
InChIKeyDDDXRFWVWCCNMY-LLVKDONJSA-N
XLogP1.80
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
The IUPAC name of 1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea (CID 97327551) is 1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea.
What is the SMILES notation for 1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
The canonical SMILES for 1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea is COc1ncc(C)cc1NC(=O)N[C@@H]1CCc2[nH]ncc2C1.
What is the InChIKey of 1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
The InChIKey is DDDXRFWVWCCNMY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9-5-13(14(22-2)16-7-9)19-15(21)18-11-3-4-12-10(6-11)8-17-20-12/h5,7-8,11H,3-4,6H2,1-2H3,(H,17,20)(H2,18,19,21)/t11-/m1/s1.
What are the key properties of 1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea?
1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea has a molecular weight of 301.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea is sourced from PubChem (CID 97327551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).