N-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide

C43H34N10O2 — CID 134453104

IUPACN-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide
SMILESCc1cccc(-c2cccc(C(=O)Nc3cn(Cc4ccc(-c5nn(C)cc5NC(=O)c5cccc(-c6ccccc6)n5)nc4)nc3-c3ccccn3)n2)c1
InChIInChI=1S/C43H34N10O2/c1-28-11-8-14-31(23-28)33-17-10-19-37(47-33)43(55)49-39-27-53(51-41(39)34-15-6-7-22-44-34)25-29-20-21-35(45-24-29)40-38(26-52(2)50-40)48-42(54)36-18-9-16-32(46-36)30-12-4-3-5-13-30/h3-24,26-27H,25H2,1-2H3,(H,48,54)(H,49,55)
InChIKeyVLTYWQXBFOLGLT-UHFFFAOYSA-N
MW722.81 g/mol
LogP7.73
Rot. Bonds10

About N-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide

N-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide (PubChem CID 134453104) has the molecular formula C43H34N10O2 and a molecular weight of 722.81 g/mol. Its IUPAC name is N-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide
PubChem CID134453104
Molecular FormulaC43H34N10O2
Molecular Weight722.81 g/mol
Exact Mass722.29
IUPAC NameN-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide
SMILESCc1cccc(-c2cccc(C(=O)Nc3cn(Cc4ccc(-c5nn(C)cc5NC(=O)c5cccc(-c6ccccc6)n5)nc4)nc3-c3ccccn3)n2)c1
InChIInChI=1S/C43H34N10O2/c1-28-11-8-14-31(23-28)33-17-10-19-37(47-33)43(55)49-39-27-53(51-41(39)34-15-6-7-22-44-34)25-29-20-21-35(45-24-29)40-38(26-52(2)50-40)48-42(54)36-18-9-16-32(46-36)30-12-4-3-5-13-30/h3-24,26-27H,25H2,1-2H3,(H,48,54)(H,49,55)
InChIKeyVLTYWQXBFOLGLT-UHFFFAOYSA-N
XLogP7.73
TPSA145.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.81
LogP ≤ 57.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide?
The IUPAC name of N-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide (CID 134453104) is N-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide?
The canonical SMILES for N-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide is Cc1cccc(-c2cccc(C(=O)Nc3cn(Cc4ccc(-c5nn(C)cc5NC(=O)c5cccc(-c6ccccc6)n5)nc4)nc3-c3ccccn3)n2)c1.
What is the InChIKey of N-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide?
The InChIKey is VLTYWQXBFOLGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N10O2/c1-28-11-8-14-31(23-28)33-17-10-19-37(47-33)43(55)49-39-27-53(51-41(39)34-15-6-7-22-44-34)25-29-20-21-35(45-24-29)40-38(26-52(2)50-40)48-42(54)36-18-9-16-32(46-36)30-12-4-3-5-13-30/h3-24,26-27H,25H2,1-2H3,(H,48,54)(H,49,55).
What are the key properties of N-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide?
N-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide has a molecular weight of 722.81 g/mol, XLogP of 7.73, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide is sourced from PubChem (CID 134453104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).