N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-2-cyclopropylacetamide

C32H39N5O2 — CID 121438621

IUPACN-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-2-cyclopropylacetamide
SMILESCC(C)(N)c1ccc(-c2nnc(NC(=O)CC3CCC(NC(=O)CC4CC4)CC3)cc2-c2ccccc2)cc1
InChIInChI=1S/C32H39N5O2/c1-32(2,33)25-14-12-24(13-15-25)31-27(23-6-4-3-5-7-23)20-28(36-37-31)35-30(39)19-22-10-16-26(17-11-22)34-29(38)18-21-8-9-21/h3-7,12-15,20-22,26H,8-11,16-19,33H2,1-2H3,(H,34,38)(H,35,36,39)
InChIKeyGAXVVZWUXIQLRX-UHFFFAOYSA-N
MW525.70 g/mol
LogP5.81
Rot. Bonds9

About N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-2-cyclopropylacetamide

N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-2-cyclopropylacetamide (PubChem CID 121438621) has the molecular formula C32H39N5O2 and a molecular weight of 525.70 g/mol. Its IUPAC name is N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-2-cyclopropylacetamide
PubChem CID121438621
Molecular FormulaC32H39N5O2
Molecular Weight525.70 g/mol
Exact Mass525.31
IUPAC NameN-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-2-cyclopropylacetamide
SMILESCC(C)(N)c1ccc(-c2nnc(NC(=O)CC3CCC(NC(=O)CC4CC4)CC3)cc2-c2ccccc2)cc1
InChIInChI=1S/C32H39N5O2/c1-32(2,33)25-14-12-24(13-15-25)31-27(23-6-4-3-5-7-23)20-28(36-37-31)35-30(39)19-22-10-16-26(17-11-22)34-29(38)18-21-8-9-21/h3-7,12-15,20-22,26H,8-11,16-19,33H2,1-2H3,(H,34,38)(H,35,36,39)
InChIKeyGAXVVZWUXIQLRX-UHFFFAOYSA-N
XLogP5.81
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.70
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-2-cyclopropylacetamide?
The IUPAC name of N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-2-cyclopropylacetamide (CID 121438621) is N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-2-cyclopropylacetamide?
The canonical SMILES for N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-2-cyclopropylacetamide is CC(C)(N)c1ccc(-c2nnc(NC(=O)CC3CCC(NC(=O)CC4CC4)CC3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-2-cyclopropylacetamide?
The InChIKey is GAXVVZWUXIQLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O2/c1-32(2,33)25-14-12-24(13-15-25)31-27(23-6-4-3-5-7-23)20-28(36-37-31)35-30(39)19-22-10-16-26(17-11-22)34-29(38)18-21-8-9-21/h3-7,12-15,20-22,26H,8-11,16-19,33H2,1-2H3,(H,34,38)(H,35,36,39).
What are the key properties of N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-2-cyclopropylacetamide?
N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-2-cyclopropylacetamide has a molecular weight of 525.70 g/mol, XLogP of 5.81, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[6-[4-(2-aminopropan-2-yl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-2-cyclopropylacetamide is sourced from PubChem (CID 121438621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).