N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide

C17H17N7OS — CID 53168052

IUPACN-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(-c2ncc(N3CCSCC3)cn2)c1)c1ccccn1
InChIInChI=1S/C17H17N7OS/c25-16(15-3-1-2-4-18-15)22-13-9-21-24(12-13)17-19-10-14(11-20-17)23-5-7-26-8-6-23/h1-4,9-12H,5-8H2,(H,22,25)
InChIKeyJQKODHASPACBCQ-UHFFFAOYSA-N
MW367.44 g/mol
LogP1.86
Rot. Bonds4

About N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide

N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 53168052) has the molecular formula C17H17N7OS and a molecular weight of 367.44 g/mol. Its IUPAC name is N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID53168052
Molecular FormulaC17H17N7OS
Molecular Weight367.44 g/mol
Exact Mass367.12
IUPAC NameN-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(-c2ncc(N3CCSCC3)cn2)c1)c1ccccn1
InChIInChI=1S/C17H17N7OS/c25-16(15-3-1-2-4-18-15)22-13-9-21-24(12-13)17-19-10-14(11-20-17)23-5-7-26-8-6-23/h1-4,9-12H,5-8H2,(H,22,25)
InChIKeyJQKODHASPACBCQ-UHFFFAOYSA-N
XLogP1.86
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 53167977
1-methyl-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyrrole-2-carboxamide
CID 53168050
N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 53168039
N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 53168034
5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide
CID 53168005
N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 47028121
N-(2-pyrazol-1-ylpyrimidin-5-yl)pyridine-2-carboxamide
CID 71789796
2-chloro-5-methylsulfanyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]benzamide
CID 53167948
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]pyridine-2-carboxamide
CID 122299599
3-methoxy-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide
CID 53167988
N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide
CID 56782231
N-[1-(furan-2-ylsulfonyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 52935837

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide (CID 53168052) is N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide is O=C(Nc1cnn(-c2ncc(N3CCSCC3)cn2)c1)c1ccccn1.
What is the InChIKey of N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is JQKODHASPACBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7OS/c25-16(15-3-1-2-4-18-15)22-13-9-21-24(12-13)17-19-10-14(11-20-17)23-5-7-26-8-6-23/h1-4,9-12H,5-8H2,(H,22,25).
What are the key properties of N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide?
N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 367.44 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 53168052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).