N-[5-[5-(2-acetamido-4-pyridinyl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-1-cyclopropylpyrazole-4-carboxamide

C24H22N8O2 — CID 169024571

IUPACN-[5-[5-(2-acetamido-4-pyridinyl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-1-cyclopropylpyrazole-4-carboxamide
SMILESCC(=O)Nc1cc(-c2cnnc(-c3cc(NC(=O)c4cnn(C5CC5)c4)cnc3C)c2)ccn1
InChIInChI=1S/C24H22N8O2/c1-14-21(9-19(12-26-14)30-24(34)18-11-28-32(13-18)20-3-4-20)22-7-17(10-27-31-22)16-5-6-25-23(8-16)29-15(2)33/h5-13,20H,3-4H2,1-2H3,(H,30,34)(H,25,29,33)
InChIKeyJNGQCCXSVLLRRG-UHFFFAOYSA-N
MW454.49 g/mol
LogP3.65
Rot. Bonds6

About N-[5-[5-(2-acetamido-4-pyridinyl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-1-cyclopropylpyrazole-4-carboxamide

N-[5-[5-(2-acetamido-4-pyridinyl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-1-cyclopropylpyrazole-4-carboxamide (PubChem CID 169024571) has the molecular formula C24H22N8O2 and a molecular weight of 454.49 g/mol. Its IUPAC name is N-[5-[5-(2-acetamido-4-pyridinyl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-1-cyclopropylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(2-acetamido-4-pyridinyl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-1-cyclopropylpyrazole-4-carboxamide
PubChem CID169024571
Molecular FormulaC24H22N8O2
Molecular Weight454.49 g/mol
Exact Mass454.19
IUPAC NameN-[5-[5-(2-acetamido-4-pyridinyl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-1-cyclopropylpyrazole-4-carboxamide
SMILESCC(=O)Nc1cc(-c2cnnc(-c3cc(NC(=O)c4cnn(C5CC5)c4)cnc3C)c2)ccn1
InChIInChI=1S/C24H22N8O2/c1-14-21(9-19(12-26-14)30-24(34)18-11-28-32(13-18)20-3-4-20)22-7-17(10-27-31-22)16-5-6-25-23(8-16)29-15(2)33/h5-13,20H,3-4H2,1-2H3,(H,30,34)(H,25,29,33)
InChIKeyJNGQCCXSVLLRRG-UHFFFAOYSA-N
XLogP3.65
TPSA127.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[5-(2-acetamido-4-pyridinyl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-1-cyclopropylpyrazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

methyl N-[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-2-pyridinyl]carbamate
CID 168929923
4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide
CID 170100895
N-[3-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyridazin-3-yl]-4-methylphenyl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 169024658
N-[5-[2-(2-acetamido-4-pyridinyl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 169024588
4-[6-[5-[3-(1-fluorocyclopropyl)propanoylamino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide
CID 168930391
cyclopropanecarbaldehyde;N-(3,3-dimethylbutyl)-6-methyl-5-[5-[2-(methylamino)-4-pyridinyl]pyridazin-3-yl]pyridin-3-amine;formamide
CID 168928946
2-(1-cyanocyclopropyl)-N-[5-[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-2-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 168929567
N-[5-[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-2-yl]-6-methyl-3-pyridinyl]-2-(1-propylcyclopropyl)pyridine-4-carboxamide
CID 168929782
1-(1-methylpiperidin-4-yl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]pyrazole-4-carboxamide
CID 138587403
N-[5-[2-[2-[(2-cyano-2-methylpropanoyl)amino]-4-pyridinyl]-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 168929322
2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 118071000
1-(1-methylpiperidin-4-yl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)cinnolin-3-yl]pyrazole-4-carboxamide
CID 138587454

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(2-acetamido-4-pyridinyl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-1-cyclopropylpyrazole-4-carboxamide?
The IUPAC name of N-[5-[5-(2-acetamido-4-pyridinyl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-1-cyclopropylpyrazole-4-carboxamide (CID 169024571) is N-[5-[5-(2-acetamido-4-pyridinyl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-1-cyclopropylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-[5-(2-acetamido-4-pyridinyl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-1-cyclopropylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-[5-(2-acetamido-4-pyridinyl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-1-cyclopropylpyrazole-4-carboxamide is CC(=O)Nc1cc(-c2cnnc(-c3cc(NC(=O)c4cnn(C5CC5)c4)cnc3C)c2)ccn1.
What is the InChIKey of N-[5-[5-(2-acetamido-4-pyridinyl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-1-cyclopropylpyrazole-4-carboxamide?
The InChIKey is JNGQCCXSVLLRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O2/c1-14-21(9-19(12-26-14)30-24(34)18-11-28-32(13-18)20-3-4-20)22-7-17(10-27-31-22)16-5-6-25-23(8-16)29-15(2)33/h5-13,20H,3-4H2,1-2H3,(H,30,34)(H,25,29,33).
What are the key properties of N-[5-[5-(2-acetamido-4-pyridinyl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-1-cyclopropylpyrazole-4-carboxamide?
N-[5-[5-(2-acetamido-4-pyridinyl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-1-cyclopropylpyrazole-4-carboxamide has a molecular weight of 454.49 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(2-acetamido-4-pyridinyl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-1-cyclopropylpyrazole-4-carboxamide is sourced from PubChem (CID 169024571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).