6-(1-cyanocyclopropyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyridazine-4-carboxamide

C30H32N6O4 — CID 90463226

IUPAC6-(1-cyanocyclopropyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyridazine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnnc(C3(C#N)CC3)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1
InChIInChI=1S/C30H32N6O4/c1-20-2-3-23(34-28(37)22-15-27(35-33-18-22)30(19-31)6-7-30)16-25(20)21-14-26(36-8-12-39-13-9-36)29(32-17-21)40-24-4-10-38-11-5-24/h2-3,14-18,24H,4-13H2,1H3,(H,34,37)
InChIKeyNCCKYASQPHYXES-UHFFFAOYSA-N
MW540.62 g/mol
LogP4.05
Rot. Bonds7

About 6-(1-cyanocyclopropyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyridazine-4-carboxamide

6-(1-cyanocyclopropyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyridazine-4-carboxamide (PubChem CID 90463226) has the molecular formula C30H32N6O4 and a molecular weight of 540.62 g/mol. Its IUPAC name is 6-(1-cyanocyclopropyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-(1-cyanocyclopropyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyridazine-4-carboxamide
PubChem CID90463226
Molecular FormulaC30H32N6O4
Molecular Weight540.62 g/mol
Exact Mass540.25
IUPAC Name6-(1-cyanocyclopropyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyridazine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnnc(C3(C#N)CC3)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1
InChIInChI=1S/C30H32N6O4/c1-20-2-3-23(34-28(37)22-15-27(35-33-18-22)30(19-31)6-7-30)16-25(20)21-14-26(36-8-12-39-13-9-36)29(32-17-21)40-24-4-10-38-11-5-24/h2-3,14-18,24H,4-13H2,1H3,(H,34,37)
InChIKeyNCCKYASQPHYXES-UHFFFAOYSA-N
XLogP4.05
TPSA122.49 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.62
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(1-cyanocyclopropyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyanocyclopropyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyridazine-4-carboxamide?
The IUPAC name of 6-(1-cyanocyclopropyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyridazine-4-carboxamide (CID 90463226) is 6-(1-cyanocyclopropyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for 6-(1-cyanocyclopropyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyridazine-4-carboxamide?
The canonical SMILES for 6-(1-cyanocyclopropyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyridazine-4-carboxamide is Cc1ccc(NC(=O)c2cnnc(C3(C#N)CC3)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1.
What is the InChIKey of 6-(1-cyanocyclopropyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyridazine-4-carboxamide?
The InChIKey is NCCKYASQPHYXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O4/c1-20-2-3-23(34-28(37)22-15-27(35-33-18-22)30(19-31)6-7-30)16-25(20)21-14-26(36-8-12-39-13-9-36)29(32-17-21)40-24-4-10-38-11-5-24/h2-3,14-18,24H,4-13H2,1H3,(H,34,37).
What are the key properties of 6-(1-cyanocyclopropyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyridazine-4-carboxamide?
6-(1-cyanocyclopropyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyridazine-4-carboxamide has a molecular weight of 540.62 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyanocyclopropyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 90463226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).