N-[6-(3-chloro-2-hydroxyphenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-3-yl]cyclopropanecarboxamide

C20H21ClN6O2 — CID 168896509

IUPACN-[6-(3-chloro-2-hydroxyphenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nn(C2CCNCC2)c2cc(-c3cccc(Cl)c3O)nnc12)C1CC1
InChIInChI=1S/C20H21ClN6O2/c21-14-3-1-2-13(18(14)28)15-10-16-17(25-24-15)19(23-20(29)11-4-5-11)26-27(16)12-6-8-22-9-7-12/h1-3,10-12,22,28H,4-9H2,(H,23,26,29)
InChIKeyCBHVOBWUPGJRON-UHFFFAOYSA-N
MW412.88 g/mol
LogP3.13
Rot. Bonds4

About N-[6-(3-chloro-2-hydroxyphenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-3-yl]cyclopropanecarboxamide

N-[6-(3-chloro-2-hydroxyphenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 168896509) has the molecular formula C20H21ClN6O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is N-[6-(3-chloro-2-hydroxyphenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(3-chloro-2-hydroxyphenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-3-yl]cyclopropanecarboxamide
PubChem CID168896509
Molecular FormulaC20H21ClN6O2
Molecular Weight412.88 g/mol
Exact Mass412.14
IUPAC NameN-[6-(3-chloro-2-hydroxyphenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nn(C2CCNCC2)c2cc(-c3cccc(Cl)c3O)nnc12)C1CC1
InChIInChI=1S/C20H21ClN6O2/c21-14-3-1-2-13(18(14)28)15-10-16-17(25-24-15)19(23-20(29)11-4-5-11)26-27(16)12-6-8-22-9-7-12/h1-3,10-12,22,28H,4-9H2,(H,23,26,29)
InChIKeyCBHVOBWUPGJRON-UHFFFAOYSA-N
XLogP3.13
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-2-hydroxyphenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(3-chloro-2-hydroxyphenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-3-yl]cyclopropanecarboxamide (CID 168896509) is N-[6-(3-chloro-2-hydroxyphenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(3-chloro-2-hydroxyphenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(3-chloro-2-hydroxyphenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-3-yl]cyclopropanecarboxamide is O=C(Nc1nn(C2CCNCC2)c2cc(-c3cccc(Cl)c3O)nnc12)C1CC1.
What is the InChIKey of N-[6-(3-chloro-2-hydroxyphenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is CBHVOBWUPGJRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2/c21-14-3-1-2-13(18(14)28)15-10-16-17(25-24-15)19(23-20(29)11-4-5-11)26-27(16)12-6-8-22-9-7-12/h1-3,10-12,22,28H,4-9H2,(H,23,26,29).
What are the key properties of N-[6-(3-chloro-2-hydroxyphenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-3-yl]cyclopropanecarboxamide?
N-[6-(3-chloro-2-hydroxyphenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 412.88 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-2-hydroxyphenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 168896509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).