N-(3-bicyclo[3.1.1]heptanyl)-5-methyl-6-[4-[(2-methyl-3-oxo-1H-isoindol-5-yl)oxy]piperidin-1-yl]pyridazine-3-carboxamide

C27H33N5O3 — CID 135175096

IUPACN-(3-bicyclo[3.1.1]heptanyl)-5-methyl-6-[4-[(2-methyl-3-oxo-1H-isoindol-5-yl)oxy]piperidin-1-yl]pyridazine-3-carboxamide
SMILESCc1cc(C(=O)NC2CC3CC(C3)C2)nnc1N1CCC(Oc2ccc3c(c2)C(=O)N(C)C3)CC1
InChIInChI=1S/C27H33N5O3/c1-16-9-24(26(33)28-20-12-17-10-18(11-17)13-20)29-30-25(16)32-7-5-21(6-8-32)35-22-4-3-19-15-31(2)27(34)23(19)14-22/h3-4,9,14,17-18,20-21H,5-8,10-13,15H2,1-2H3,(H,28,33)
InChIKeyRRGKQEWJFGGDSR-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.34
Rot. Bonds5

About N-(3-bicyclo[3.1.1]heptanyl)-5-methyl-6-[4-[(2-methyl-3-oxo-1H-isoindol-5-yl)oxy]piperidin-1-yl]pyridazine-3-carboxamide

N-(3-bicyclo[3.1.1]heptanyl)-5-methyl-6-[4-[(2-methyl-3-oxo-1H-isoindol-5-yl)oxy]piperidin-1-yl]pyridazine-3-carboxamide (PubChem CID 135175096) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-(3-bicyclo[3.1.1]heptanyl)-5-methyl-6-[4-[(2-methyl-3-oxo-1H-isoindol-5-yl)oxy]piperidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bicyclo[3.1.1]heptanyl)-5-methyl-6-[4-[(2-methyl-3-oxo-1H-isoindol-5-yl)oxy]piperidin-1-yl]pyridazine-3-carboxamide
PubChem CID135175096
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC NameN-(3-bicyclo[3.1.1]heptanyl)-5-methyl-6-[4-[(2-methyl-3-oxo-1H-isoindol-5-yl)oxy]piperidin-1-yl]pyridazine-3-carboxamide
SMILESCc1cc(C(=O)NC2CC3CC(C3)C2)nnc1N1CCC(Oc2ccc3c(c2)C(=O)N(C)C3)CC1
InChIInChI=1S/C27H33N5O3/c1-16-9-24(26(33)28-20-12-17-10-18(11-17)13-20)29-30-25(16)32-7-5-21(6-8-32)35-22-4-3-19-15-31(2)27(34)23(19)14-22/h3-4,9,14,17-18,20-21H,5-8,10-13,15H2,1-2H3,(H,28,33)
InChIKeyRRGKQEWJFGGDSR-UHFFFAOYSA-N
XLogP3.34
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-bicyclo[3.1.1]heptanyl)-5-methyl-6-[4-[(2-methyl-3-oxo-1H-isoindol-5-yl)oxy]piperidin-1-yl]pyridazine-3-carboxamide with MolForge

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Related Compounds

2-[4-(3,4-dihydro-1H-isochromen-7-yloxy)piperidin-1-yl]-3,6-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 145341752
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]pyridazine-3-carboxamide
CID 139581410
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7S)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide;6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7R)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide
CID 159223114
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]pyridazine-3-carboxamide
CID 135153980
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-N-[(2S)-6-[[3-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)pyridazin-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methylpyridazine-3-carboxamide
CID 135171066
7-[1-[6-chloro-2-(hydroxymethyl)-5-methylpyrimidin-4-yl]piperidin-4-yl]oxy-2-methyl-3,4-dihydroisoquinolin-1-one
CID 135171381
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide
CID 135154077
2-[4-(3,4-dihydro-1H-isochromen-7-yloxy)piperidin-1-yl]-3,4,6-trimethyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129278083
N-[(1,5-dimethylpyrazol-3-yl)methyl]-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyridazine-3-carboxamide
CID 135154031
6-[4-(cyclopropylmethoxy)piperidin-1-yl]-5-methyl-N-(5,6,7,8-tetrahydroquinolin-6-yl)pyridazine-3-carboxamide
CID 135154037
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(2H-triazol-4-ylmethyl)pyridazine-3-carboxamide
CID 135154405
2-[4-(2,3-dihydro-1H-inden-5-yloxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277802

Frequently Asked Questions

What is the IUPAC name of N-(3-bicyclo[3.1.1]heptanyl)-5-methyl-6-[4-[(2-methyl-3-oxo-1H-isoindol-5-yl)oxy]piperidin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-(3-bicyclo[3.1.1]heptanyl)-5-methyl-6-[4-[(2-methyl-3-oxo-1H-isoindol-5-yl)oxy]piperidin-1-yl]pyridazine-3-carboxamide (CID 135175096) is N-(3-bicyclo[3.1.1]heptanyl)-5-methyl-6-[4-[(2-methyl-3-oxo-1H-isoindol-5-yl)oxy]piperidin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-bicyclo[3.1.1]heptanyl)-5-methyl-6-[4-[(2-methyl-3-oxo-1H-isoindol-5-yl)oxy]piperidin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-(3-bicyclo[3.1.1]heptanyl)-5-methyl-6-[4-[(2-methyl-3-oxo-1H-isoindol-5-yl)oxy]piperidin-1-yl]pyridazine-3-carboxamide is Cc1cc(C(=O)NC2CC3CC(C3)C2)nnc1N1CCC(Oc2ccc3c(c2)C(=O)N(C)C3)CC1.
What is the InChIKey of N-(3-bicyclo[3.1.1]heptanyl)-5-methyl-6-[4-[(2-methyl-3-oxo-1H-isoindol-5-yl)oxy]piperidin-1-yl]pyridazine-3-carboxamide?
The InChIKey is RRGKQEWJFGGDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-16-9-24(26(33)28-20-12-17-10-18(11-17)13-20)29-30-25(16)32-7-5-21(6-8-32)35-22-4-3-19-15-31(2)27(34)23(19)14-22/h3-4,9,14,17-18,20-21H,5-8,10-13,15H2,1-2H3,(H,28,33).
What are the key properties of N-(3-bicyclo[3.1.1]heptanyl)-5-methyl-6-[4-[(2-methyl-3-oxo-1H-isoindol-5-yl)oxy]piperidin-1-yl]pyridazine-3-carboxamide?
N-(3-bicyclo[3.1.1]heptanyl)-5-methyl-6-[4-[(2-methyl-3-oxo-1H-isoindol-5-yl)oxy]piperidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bicyclo[3.1.1]heptanyl)-5-methyl-6-[4-[(2-methyl-3-oxo-1H-isoindol-5-yl)oxy]piperidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 135175096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).