4-[4-(5-cyclopropylsulfonyl-1H-indazol-3-yl)-2-pyridinyl]morpholine

C19H20N4O3S — CID 90401093

IUPAC4-[4-(5-cyclopropylsulfonyl-1H-indazol-3-yl)-2-pyridinyl]morpholine
SMILESO=S(=O)(c1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1)C1CC1
InChIInChI=1S/C19H20N4O3S/c24-27(25,14-1-2-14)15-3-4-17-16(12-15)19(22-21-17)13-5-6-20-18(11-13)23-7-9-26-10-8-23/h3-6,11-12,14H,1-2,7-10H2,(H,21,22)
InChIKeyAYUHTBJFJGIYCU-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.40
Rot. Bonds4

About 4-[4-(5-cyclopropylsulfonyl-1H-indazol-3-yl)-2-pyridinyl]morpholine

4-[4-(5-cyclopropylsulfonyl-1H-indazol-3-yl)-2-pyridinyl]morpholine (PubChem CID 90401093) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-[4-(5-cyclopropylsulfonyl-1H-indazol-3-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-(5-cyclopropylsulfonyl-1H-indazol-3-yl)-2-pyridinyl]morpholine
PubChem CID90401093
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name4-[4-(5-cyclopropylsulfonyl-1H-indazol-3-yl)-2-pyridinyl]morpholine
SMILESO=S(=O)(c1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1)C1CC1
InChIInChI=1S/C19H20N4O3S/c24-27(25,14-1-2-14)15-3-4-17-16(12-15)19(22-21-17)13-5-6-20-18(11-13)23-7-9-26-10-8-23/h3-6,11-12,14H,1-2,7-10H2,(H,21,22)
InChIKeyAYUHTBJFJGIYCU-UHFFFAOYSA-N
XLogP2.40
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-cyclopropylsulfonyl-1H-indazol-3-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-(5-cyclopropylsulfonyl-1H-indazol-3-yl)-2-pyridinyl]morpholine (CID 90401093) is 4-[4-(5-cyclopropylsulfonyl-1H-indazol-3-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-(5-cyclopropylsulfonyl-1H-indazol-3-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-(5-cyclopropylsulfonyl-1H-indazol-3-yl)-2-pyridinyl]morpholine is O=S(=O)(c1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1)C1CC1.
What is the InChIKey of 4-[4-(5-cyclopropylsulfonyl-1H-indazol-3-yl)-2-pyridinyl]morpholine?
The InChIKey is AYUHTBJFJGIYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c24-27(25,14-1-2-14)15-3-4-17-16(12-15)19(22-21-17)13-5-6-20-18(11-13)23-7-9-26-10-8-23/h3-6,11-12,14H,1-2,7-10H2,(H,21,22).
What are the key properties of 4-[4-(5-cyclopropylsulfonyl-1H-indazol-3-yl)-2-pyridinyl]morpholine?
4-[4-(5-cyclopropylsulfonyl-1H-indazol-3-yl)-2-pyridinyl]morpholine has a molecular weight of 384.46 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-cyclopropylsulfonyl-1H-indazol-3-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 90401093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).