N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

C22H22N8O2 — CID 134450343

IUPACN-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3cn[nH]c3)n2)c(-c2ccc(N3CCOCC3)cn2)n1
InChIInChI=1S/C22H22N8O2/c1-29-14-20(27-22(31)19-4-2-3-17(26-19)15-11-24-25-12-15)21(28-29)18-6-5-16(13-23-18)30-7-9-32-10-8-30/h2-6,11-14H,7-10H2,1H3,(H,24,25)(H,27,31)
InChIKeyYHERGZIQGARUMZ-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.36
Rot. Bonds5

About N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 134450343) has the molecular formula C22H22N8O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID134450343
Molecular FormulaC22H22N8O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC NameN-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3cn[nH]c3)n2)c(-c2ccc(N3CCOCC3)cn2)n1
InChIInChI=1S/C22H22N8O2/c1-29-14-20(27-22(31)19-4-2-3-17(26-19)15-11-24-25-12-15)21(28-29)18-6-5-16(13-23-18)30-7-9-32-10-8-30/h2-6,11-14H,7-10H2,1H3,(H,24,25)(H,27,31)
InChIKeyYHERGZIQGARUMZ-UHFFFAOYSA-N
XLogP2.36
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 134450343) is N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is Cn1cc(NC(=O)c2cccc(-c3cn[nH]c3)n2)c(-c2ccc(N3CCOCC3)cn2)n1.
What is the InChIKey of N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is YHERGZIQGARUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O2/c1-29-14-20(27-22(31)19-4-2-3-17(26-19)15-11-24-25-12-15)21(28-29)18-6-5-16(13-23-18)30-7-9-32-10-8-30/h2-6,11-14H,7-10H2,1H3,(H,24,25)(H,27,31).
What are the key properties of N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 134450343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).