N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

C23H24N8O2 — CID 134450268

IUPACN-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cn(CCN2CCOCC2)nc1-c1ccccn1)c1cccc(-c2cn[nH]c2)n1
InChIInChI=1S/C23H24N8O2/c32-23(20-6-3-5-18(27-20)17-14-25-26-15-17)28-21-16-31(9-8-30-10-12-33-13-11-30)29-22(21)19-4-1-2-7-24-19/h1-7,14-16H,8-13H2,(H,25,26)(H,28,32)
InChIKeySJLWTKYOGKDEKK-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.31
Rot. Bonds7

About N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 134450268) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID134450268
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC NameN-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cn(CCN2CCOCC2)nc1-c1ccccn1)c1cccc(-c2cn[nH]c2)n1
InChIInChI=1S/C23H24N8O2/c32-23(20-6-3-5-18(27-20)17-14-25-26-15-17)28-21-16-31(9-8-30-10-12-33-13-11-30)29-22(21)19-4-1-2-7-24-19/h1-7,14-16H,8-13H2,(H,25,26)(H,28,32)
InChIKeySJLWTKYOGKDEKK-UHFFFAOYSA-N
XLogP2.31
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 134450268) is N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is O=C(Nc1cn(CCN2CCOCC2)nc1-c1ccccn1)c1cccc(-c2cn[nH]c2)n1.
What is the InChIKey of N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is SJLWTKYOGKDEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c32-23(20-6-3-5-18(27-20)17-14-25-26-15-17)28-21-16-31(9-8-30-10-12-33-13-11-30)29-22(21)19-4-1-2-7-24-19/h1-7,14-16H,8-13H2,(H,25,26)(H,28,32).
What are the key properties of N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 134450268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).