N-[2-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)amino]-2-oxoethyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C22H24N8O3 — CID 154840007

IUPACN-[2-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)amino]-2-oxoethyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1nn(C)c(Oc2cccnc2)c1NC(=O)CN(C)C(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C22H24N8O3/c1-15-19(22(29(4)26-15)33-16-8-7-9-23-12-16)25-18(31)14-27(2)21(32)17-13-24-28(3)20(17)30-10-5-6-11-30/h5-13H,14H2,1-4H3,(H,25,31)
InChIKeyLISXXYFIYRLVND-UHFFFAOYSA-N
MW448.49 g/mol
LogP2.15
Rot. Bonds7

About N-[2-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)amino]-2-oxoethyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-[2-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)amino]-2-oxoethyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 154840007) has the molecular formula C22H24N8O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is N-[2-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)amino]-2-oxoethyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)amino]-2-oxoethyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID154840007
Molecular FormulaC22H24N8O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC NameN-[2-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)amino]-2-oxoethyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1nn(C)c(Oc2cccnc2)c1NC(=O)CN(C)C(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C22H24N8O3/c1-15-19(22(29(4)26-15)33-16-8-7-9-23-12-16)25-18(31)14-27(2)21(32)17-13-24-28(3)20(17)30-10-5-6-11-30/h5-13H,14H2,1-4H3,(H,25,31)
InChIKeyLISXXYFIYRLVND-UHFFFAOYSA-N
XLogP2.15
TPSA112.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)amino]-2-oxoethyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)amino]-2-oxoethyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 154840007) is N-[2-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)amino]-2-oxoethyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)amino]-2-oxoethyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)amino]-2-oxoethyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide is Cc1nn(C)c(Oc2cccnc2)c1NC(=O)CN(C)C(=O)c1cnn(C)c1-n1cccc1.
What is the InChIKey of N-[2-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)amino]-2-oxoethyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is LISXXYFIYRLVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O3/c1-15-19(22(29(4)26-15)33-16-8-7-9-23-12-16)25-18(31)14-27(2)21(32)17-13-24-28(3)20(17)30-10-5-6-11-30/h5-13H,14H2,1-4H3,(H,25,31).
What are the key properties of N-[2-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)amino]-2-oxoethyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-[2-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)amino]-2-oxoethyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)amino]-2-oxoethyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 154840007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).