N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-6-morpholin-4-ylpyridine-3-carboxamide

C19H25N5O2 — CID 154563605

IUPACN-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1nn(C)c2c1C(NC(=O)c1ccc(N3CCOCC3)nc1)CCC2
InChIInChI=1S/C19H25N5O2/c1-13-18-15(4-3-5-16(18)23(2)22-13)21-19(25)14-6-7-17(20-12-14)24-8-10-26-11-9-24/h6-7,12,15H,3-5,8-11H2,1-2H3,(H,21,25)
InChIKeyLRJLAPJDQFMARL-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.77
Rot. Bonds3

About N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-6-morpholin-4-ylpyridine-3-carboxamide

N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 154563605) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID154563605
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1nn(C)c2c1C(NC(=O)c1ccc(N3CCOCC3)nc1)CCC2
InChIInChI=1S/C19H25N5O2/c1-13-18-15(4-3-5-16(18)23(2)22-13)21-19(25)14-6-7-17(20-12-14)24-8-10-26-11-9-24/h6-7,12,15H,3-5,8-11H2,1-2H3,(H,21,25)
InChIKeyLRJLAPJDQFMARL-UHFFFAOYSA-N
XLogP1.77
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-6-morpholin-4-ylpyridine-3-carboxamide (CID 154563605) is N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-6-morpholin-4-ylpyridine-3-carboxamide is Cc1nn(C)c2c1C(NC(=O)c1ccc(N3CCOCC3)nc1)CCC2.
What is the InChIKey of N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is LRJLAPJDQFMARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-18-15(4-3-5-16(18)23(2)22-13)21-19(25)14-6-7-17(20-12-14)24-8-10-26-11-9-24/h6-7,12,15H,3-5,8-11H2,1-2H3,(H,21,25).
What are the key properties of N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-6-morpholin-4-ylpyridine-3-carboxamide?
N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 154563605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).