N-[6-(4-chlorophenoxy)-3-pyridinyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

C23H18ClN5O2 — CID 166329520

IUPACN-[6-(4-chlorophenoxy)-3-pyridinyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)N1Cc2cnn(-c3ccccc3)c2C1
InChIInChI=1S/C23H18ClN5O2/c24-17-6-9-20(10-7-17)31-22-11-8-18(13-25-22)27-23(30)28-14-16-12-26-29(21(16)15-28)19-4-2-1-3-5-19/h1-13H,14-15H2,(H,27,30)
InChIKeyLQWVYDCBLNWVOV-UHFFFAOYSA-N
MW431.88 g/mol
LogP5.26
Rot. Bonds4

About N-[6-(4-chlorophenoxy)-3-pyridinyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

N-[6-(4-chlorophenoxy)-3-pyridinyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 166329520) has the molecular formula C23H18ClN5O2 and a molecular weight of 431.88 g/mol. Its IUPAC name is N-[6-(4-chlorophenoxy)-3-pyridinyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenoxy)-3-pyridinyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID166329520
Molecular FormulaC23H18ClN5O2
Molecular Weight431.88 g/mol
Exact Mass431.11
IUPAC NameN-[6-(4-chlorophenoxy)-3-pyridinyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)N1Cc2cnn(-c3ccccc3)c2C1
InChIInChI=1S/C23H18ClN5O2/c24-17-6-9-20(10-7-17)31-22-11-8-18(13-25-22)27-23(30)28-14-16-12-26-29(21(16)15-28)19-4-2-1-3-5-19/h1-13H,14-15H2,(H,27,30)
InChIKeyLQWVYDCBLNWVOV-UHFFFAOYSA-N
XLogP5.26
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.88
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-(4-chlorophenoxy)-3-pyridinyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide with MolForge

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Related Compounds

1-[[6-(4-chlorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078011
1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122085769
N-[6-(4-chloro-3-methylphenoxy)-3-pyridinyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 10150875
1-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 128605086
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 166200539
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 55743984
4-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 127348584
N-[6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51093159
N-[6-(4-cyanophenoxy)-3-pyridinyl]-3-oxo-4-pyridin-3-ylpiperazine-1-carboxamide
CID 166217720
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 52627337
N-[1-(1-methyltetrazol-5-yl)ethyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 138049856
4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide
CID 136577034

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenoxy)-3-pyridinyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of N-[6-(4-chlorophenoxy)-3-pyridinyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (CID 166329520) is N-[6-(4-chlorophenoxy)-3-pyridinyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[6-(4-chlorophenoxy)-3-pyridinyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[6-(4-chlorophenoxy)-3-pyridinyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)N1Cc2cnn(-c3ccccc3)c2C1.
What is the InChIKey of N-[6-(4-chlorophenoxy)-3-pyridinyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is LQWVYDCBLNWVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2/c24-17-6-9-20(10-7-17)31-22-11-8-18(13-25-22)27-23(30)28-14-16-12-26-29(21(16)15-28)19-4-2-1-3-5-19/h1-13H,14-15H2,(H,27,30).
What are the key properties of N-[6-(4-chlorophenoxy)-3-pyridinyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
N-[6-(4-chlorophenoxy)-3-pyridinyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 431.88 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenoxy)-3-pyridinyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 166329520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).